Programs in Physics & Physical Chemistry
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Programs in Physics & Physical Chemistry |
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| Index | Classification |
| 2 | Atomic Physics |
| 2.1 | Structure and Properties |
| AACC_v1_0 | SPSS-ATOMIC Z-EXPANSION E2 PRIME Single-particle substitution sums in the second-order Z-expansion theory of atomic energies. M.N. Lewis Comput. Phys. Commun. 1(1970)265 |
| AACC_v1_0 | 000A CORRECTION 27/07/70 Single-particle substitution sums in the second-order Z-expansion theory of atomic energies. (C.P.C. 1(1970)265). M.N. Lewis Comput. Phys. Commun. 1(1970)469 |
| AACH_v1_0 | SSTR-TRANSITION GENERALIZED SUMS Z-expansion of matrix elements of one-electron operators for many- electron atoms. M.N. Lewis Comput. Phys. Commun. 18(1979)109 |
| AAFI_v1_0 | HSCF An atomic Gaussian-type orbital Roothaan-Hartree-Fock program. S. Huzinaga, M. Klobukowski, Y. Sakai Comput. Phys. Commun. 30(1983)311 |
| AAHK_v1_0 | CPOLAR Energy eigenvalues and bound-bound transitions of hydrogen atoms in a magnetic field using cylindrical basis functions. S.M. Kara Comput. Phys. Commun. 20(1980)221 |
| AAJD_v1_0 | RPA TWO ELECTRON EIGENFUNCTION A program to calculate the eigenfunctions of the random phase approximation for two electron systems. M.J. Jamieson, I.H.K. Aldeen Comput. Phys. Commun. 20(1980)213 |
| AAKA_v1_0 | SOCKITTOME 1 Relativistic and non-relativistic configuration interaction calculations for atoms having a closed core and two valence spin- orbitals. D.R. Beck, R.N. Zare Comput. Phys. Commun. 1(1969)113 |
| AAKB_v1_0 | HEX Relativistic self-consistent field program for atoms and ions. D.A. Liberman, D.T. Cromer, J.T. Waber Comput. Phys. Commun. 2(1971)107 |
| AAKB_v1_0 | 000A CORRECTION 11/08/71 Relativistic self-consistent field program for atoms and ions. (C.P. C. 2(1971)107). D.A. Liberman, D.T. Cromer, J.T. Waber Comput. Phys. Commun. 2(1971)471 |
| AAKB_v1_0 | 000B CORRECTION 02/09/71 Relativistic self-consistent field program for atoms and ions. (C.P. C. 2(1971)107). D.A. Liberman, D.T. Cromer, J.T. Waber Comput. Phys. Commun. 2(1971)471 |
| AAKB_v1_0 | 000CCORRECTION 18/11/74 Relativistic self-consistent field program for atoms and ions. (C.P. C. 2(1971)107). D.A. Liberman, D.T. Cromer, J.T. Waber Comput. Phys. Commun. 9(1975)129 |
| AAKD_v1_0 | LEVEL Calculation of atomic energy level values. L.J. Radziemski Jr., K.J. Fisher, D.W. Steinhaus, A.S. Goldman Comput. Phys. Commun. 3(1972)9 |
| AAKE_v1_0 | CALOR Wave number calculation from least-squares level values. L.J. Radziemski Jr., K.J. Fisher, D.W. Steinhaus, A.S. Goldman Comput. Phys. Commun. 3(1972)19 |
| AAKG_v1_0 | HERSKLZARE A non-relativistic SCF atomic program to compute one-electron energies, total energies, and Slater integrals. J.H. Wood, M. Boring Comput. Phys. Commun. 7(1974)73 |
| AAKG_v1_0 | 000A CORRECTION 5/09/75 A non-relativistic SCF atomic program to compute one-electron energies, total energies and Slater integrals. (C.P.C. 7(1974)73). J.H. Wood, M. Boring Comput. Phys. Commun. 10(1976)434 |
| AAKM_v1_0 | CIV3 A GENERAL C.I. PROGRAM CIV3 - a general program to calculate configuration interaction wave functions and electric-dipole oscillator strengths. A. Hibbert Comput. Phys. Commun. 9(1975)141 |
| AAKM_v1_0 | 0001 ADAPT CIV3 FOR HFS Adaptation of CIV3 to evaluate hyperfine structure. R. Glass, A. Hibbert Comput. Phys. Commun. 11(1976)125 |
| AAKM_v1_0 | 000A CORRECTION 26/1/76 CIV3 - a general program to calculate configuration interaction wave functions and electric-dipole oscillator strengths. (C.P.C. 9(1975)141). A. Hibbert Comput. Phys. Commun. 10(1976)436 |
| AAKQ_v1_0 | ATOMIC SCF HARTREE-FOCK Self-consistent field Hartree-Fock program for atoms. L.V. Chernysheva, N.A. Cherepkov, V. Radojevic Comput. Phys. Commun. 11(1976)57 |
| AAKU_v1_0 | TERM I. Generator of determinantal non-relativistic atomic states from spectroscopic notation. Computation of matrix elements. J.J. Labarthe Comput. Phys. Commun. 16(1979)285 |
| AAKV_v1_0 | EXCGH II. Generator of atomic excited terms from angular considerations. J.J. Labarthe Comput. Phys. Commun. 16(1979)301 |
| AAKW_v1_0 | EDD III. Analytic approximations of radial orbitals for multiconfigurational Hartree-Fock computations. J.J. Labarthe Comput. Phys. Commun. 16(1979)311 |
| AAKW_v1_0 | 0001 QFO IV. Approximation of numerical orbitals by Slater functions. J.J. Labarthe Comput. Phys. Commun. 16(1979)325 |
| AAKZ_v1_0 | ATOMIC FROZEN CORE HARTREE-FOCK Frozen core Hartree-Fock program for atomic discrete and continuous states. L.V. Chernysheva, N.A. Cherepkov, V. Radojevic Comput. Phys. Commun. 18(1979)87 |
| AAML_v1_0 | GOLIATH A nonrelativistic program for optical response in atoms using a time- dependent local density approximation. A. Zangwill, D.A. Liberman Comput. Phys. Commun. 32(1984)63 |
| AAMM_v1_0 | DAVID A relativistic program for optical response in atoms using a time- dependent local density approximation. D.A. Liberman, A. Zangwill Comput. Phys. Commun. 32(1984)75 |
| AANC_v1_0 | MCDF An atomic multiconfigurational Dirac-Fock package. I.P. Grant, B.J. McKenzie, P.H. Norrington, D.F. Mayers, N.C. Pyper Comput. Phys. Commun. 21(1980)207 |
| AANC_v1_0 | 0001 CONTWV Relativistic continuum wavefunction solver. W.F. Perger, V. Karighattam Comput. Phys. Commun. 66(1991)392 |
| AANC_v2_0 | CONTWVG Continuum wavefunction solver for GRASP. W.F. Perger, Z. Halabuka, D. Trautmann Comput. Phys. Commun. 76(1993)250 |
| AANC_v3_0 | CONTWVSA version 1.0 Standalone relativistic continuum wavefunction solver. M.G. Tews, W.F. Perger Comput. Phys. Commun. 141(2001)205 |
| AAND_v1_0 | MCBP/BENA A program to calculate transverse Breit and QED corrections to energy levels in a multi-configuration Dirac-Fock environment. B.J. McKenzie, I.P. Grant, P.H. Norrington Comput. Phys. Commun. 21(1980)233 |
| AAND_v1_0 | 000A CORRECTION 27/04/81 A program to calculate transverse Breit and QED corrections to energy levels in a multi-configuration Dirac-Fock environment. (C.P.C. 21(1980)233). B.J. McKenzie, I.P. Grant, P.H. Norrington Comput. Phys. Commun. 23(1981)222 |
| AATK_v1_0 | HF86 General Hartree-Fock program. C.F. Fischer Comput. Phys. Commun. 43(1987)355 |
| ABBB_v1_0 | RIAS Research in atomic structure: a configuration interaction program with relativistic corrections. S. Fraga, M. Klobukowski, J. Muszynska, K.M.S. Saxena, J.A. Sordo, J.D. Climenhaga, P. Clark Comput. Phys. Commun. 47(1987)159 |
| ABBB_v1_0 | 000ACORRECTION 07/09/88 Research in atomic structure: a configuration interaction program with relativistic corrections. (C.P.C. 47(1987)159). S. Fraga, M. Klobukowski, J. Muszynska, K.M.S. Saxena, J.A. Sordo, J.D. Climenhaga, P. Clark Comput. Phys. Commun. 52(1989)445 |
| ABFS_v1_0 | HONDO VERSION 7.0 The general atomic and molecular electronic structure system HONDO: version 7.0. M. Dupuis, J.D. Watts, H.O. Villar, G.J.B. Hurst Comput. Phys. Commun. 52(1989)415 |
| ABHT_v1_0 | ATOMOPM A program to compute variationally optimized effective atomic potentials. J.D. Talman Comput. Phys. Commun. 54(1989)85 |
| ABHU_v1_0 | DIRACATOMOPM A program to compute variationally optimized relativistic atomic potentials. B.A. Shadwick, J.D. Talman, M.R. Norman Comput. Phys. Commun. 54(1989)95 |
| ABJN_v1_0 | GRASP GRASP: a general-purpose relativistic atomic structure program. See erratum Comp. Phys. Commun. 58(1990)345. K.G. Dyall, I.P. Grant, C.T. Johnson, F.A. Parpia, E.P. Plummer Comput. Phys. Commun. 55(1989)425 |
| ABZU_v1_0 | MCHF_LIBRARIES MCHF atomic structure package: support libraries and utilities. C.F. Fischer Comput. Phys. Commun. 64(1991)399 |
| ABZV_v1_0 | MCHF_GENCL A program to generate configuration state lists. C.F. Fischer, B. Liu Comput. Phys. Commun. 64(1991)406 |
| ABZW_v1_0 | MCHF_NONH A general program for computing angular integrals of the non- relativistic Hamiltonian with non-orthogonal orbitals. A. Hibbert, C.F. Fischer Comput. Phys. Commun. 64(1991)417 |
| ABZX_v1_0 | MCHF_88 A general multiconfiguration Hartree-Fock program. C.F. Fischer Comput. Phys. Commun. 64(1991)431 |
| ABZY_v1_0 | MCHF_BREIT A general program for computing angular integrals of the Breit-Pauli hamiltonian. A. Hibbert, R. Glass, C.F. Fischer Comput. Phys. Commun. 64(1991)455 |
| ABZZ_v1_0 | MCHF_CI A configuration interaction program. C.F. Fischer Comput. Phys. Commun. 64(1991)473 |
| ACBA_v1_0 | MCHF_MLTPOL A program for performing angular integrations for transition operators. C.F. Fischer, M.R. Godefroid, A. Hibbert Comput. Phys. Commun. 64(1991)486 |
| ACBB_v1_0 | MCHF_LSTR AND MCHF_LSJTR Programs for computing LS and LSJ transitions from MCHF wave functions. C.F. Fischer, M.R. Godefroid Comput. Phys. Commun. 64(1991)501 |
| ACCE_v1_0 | REDUCED LOCAL ENERGY FOR ATOMS Reduced local energy for atomic Hartree-Fock wavefunctions. F.W. King, M.K. Kelly, M.A. LeGore, M.E. Poitzsch Comput. Phys. Commun. 32(1984)215 |
| ACFZ_v1_0 | INTERACTING CONFIGURATIONS Determination of interacting configurations. D. Ridder Comput. Phys. Commun. 31(1984)423 |
| ACHN_v1_0 | ccMBPT-4t Diagrammatic many-body perturbation expansion for atoms and moleucles. VIII. ccMBPT-4t. D. Moncrieff, V.R. Saunders, S. Wilson Comput. Phys. Commun. 70(1992)345 |
| ACLA_v1_0 | SPIN003 The construction of matrices of orthogonal operators for d**N configurations. H.J. Kooy Jr Comput. Phys. Commun. 74(1993)142 |
| ACLD_v1_0 | MCHF_AUTO A program for computing autoionization properties. C.F. Fischer, T. Brage Comput. Phys. Commun. 74(1993)381 |
| ACLE_v1_0 | MCHF_HFS A program for computing magnetic dipole and electric quadrupole hyperfine constants from MCHF wavefunctions. P. Jonsson, C.-G. Wahlstrom, C.F. Fischer Comput. Phys. Commun. 74(1993)399 |
| ACLF_v1_0 | MCHF_ISOTOPE A program to compute isotope shifts in atomic spectra. C.F. Fischer, L. Smentek-Mielczarek, N. Vaeck, G. Miecznik Comput. Phys. Commun. 74(1993)415 |
| ACLG_v1_0 | MCHF_LSGEN LSGEN: a program to generate configuration-state lists of LS-coupled basis functions. L. Sturesson, C.F. Fischer Comput. Phys. Commun. 74(1993)432 |
| ACLO_v1_0 | HYDMATEL HYDMATEL: a code to calculate matrix elements for hydrogen-like atoms. M.L. Sanchez, A. Lopez Pineiro Comput. Phys. Commun. 75(1993)185 |
| ACNG_v1_0 | JJCAS A program for generating complete active spaces for relativistic atomic structure calculations. F.A. Parpia, W.P. Wijesundera, I.P. Grant Comput. Phys. Commun. 76(1993)127 |
| ACQI_v1_0 | H.F.S. SELF CONSISTENT FIELD Hartree Fock Slater self consistent field calculations. J.P. Desclaux Comput. Phys. Commun. 1(1970)216 |
| ACQI_v1_0 | 0001 ADAPT HFS FOR MSXALPHA An adaptation of ACQI to calculate the data for MSXALPHA program. M. Klobukowski Comput. Phys. Commun. 25(1982)29 |
| ACQJ_v1_0 | MULTI-CONFIGURATION HARTREE-FOCK A multi-configuration Hartree-Fock program. C.F. Fischer Comput. Phys. Commun. 1(1969)151 |
| ACRD_v1_0 | BACK-GOUDSMIT A program for computing level crossings and the Back-Goudsmit effect. P. Violino Comput. Phys. Commun. 4(1972)128 |
| ACRD_v1_0 | 000A CORRECTION 27/1/77 A program for computing level-crossings and the Back-Goudsmit effect. (C.P.C. 4(1972)128). P. Violino Comput. Phys. Commun. 13(1977)137 |
| ACRF_v1_0 | MCHF72 A multi-configuration Hartree-Fock program with improved stability. C.F. Fischer Comput. Phys. Commun. 4(1972)107 |
| ACRF_v1_0 | 000ACORRECTION 2/01/74 A multi-configuration Hartree-Fock program with improved stability. (C.P.C. 4(1972)107). C.F. Fischer Comput. Phys. Commun. 7(1974)236 |
| ACRV_v1_0 | MULTICONFIGURATION DIRAC-FOCK A multiconfiguration relativistic Dirac-Fock program. J.P. Desclaux Comput. Phys. Commun. 9(1975)31 |
| ACRV_v1_0 | 000B CORRECTION 7/12/76 A multiconfiguration relativistic Dirac-Fock program.(C.P.C. 9(1975)31). J.P. Desclaux Comput. Phys. Commun. 13(1977)71 |
| ACRX_v1_0 | FIXED CORE HARTREE-FOCK A fixed core Hartree-Fock program for calculating bound and continuum orbitals. G.N. Bates Comput. Phys. Commun. 8(1974)220 |
| ACRZ_v1_0 | GF VALUES Oscillator strengths from numerical MCHF radial functions. C.F. Fischer, K.M.S. Saxena Comput. Phys. Commun. 9(1975)381 |
| ACRZ_v1_0 | 0001 QUADRUPOLE TRANSITIONS An adaptation of ACRZ to calculate electric quadrupole oscillator strengths. M. Godefroid Comput. Phys. Commun. 15(1978)275 |
| ACRZ_v1_0 | A00ACORRECTION TO 0001 01/03/79 An adaptation of ACRZ to calculate electric quadrupole oscillator strengths. (C.P.C. 15(1978)275). M. Godefroid Comput. Phys. Commun. 17(1979)426 |
| ACRZ_v1_0 | A00BCORRECTION TO 0001 26/02/86 An adaptation of ACRZ to calculate electric quadrupole oscillator strengths. (C.P.C. 15(1978)275). M. Godefroid Comput. Phys. Commun. 41(1986)195 |
| ACVM_v1_0 | VACPOL Vacuum-polarization potentials of extended nuclear charges. V. Hnizdo Comput. Phys. Commun. 83(1994)95 |
| ACXF_v1_0 | MBPT ORGANIZATION Diagrammatic many-body perturbation expansion for atoms and molecules: I. General organization. D.M. Silver Comput. Phys. Commun. 14(1978)71 |
| ACXG_v1_0 | MBPT LADDER DIAGRAMS Diagrammatic many-body perturbation expansion for atoms and molecules: II. Second-order and third-order ladder energies. D.M. Silver Comput. Phys. Commun. 14(1978)81 |
| ACXH_v1_0 | MBPT RING DIAGRAMS Diagrammatic many-body perturbation expansion for atoms and molecules: III. Third-order ring energies. S. Wilson Comput. Phys. Commun. 14(1978)91 |
| ACYA_v1_0 | MCHF77 A general multi-configuration Hartree-Fock program. C.F. Fischer Comput. Phys. Commun. 14(1978)145 |
| ADBZ_v1_0 | HSTERM HSTERM, a program to calculate potential curves and radial matrix elements for two-electron systems within the hyperspherical adiabatic approach. A.G. Abrashkevich, D.G. Abrashkevich, M. Shapiro Comput. Phys. Commun. 90(1995)311 |
| ADCB_v1_0 | CESD A program for the complete expansion of jj-coupled symmetry functions into Slater determinants. S. Fritzsche, I.P. Grant Comput. Phys. Commun. 92(1995)111 |
| ADCB_v2_0 | CESD97 CESD97 - a revised version to expand jj-coupled symmetry functions into determinants. S. Fritzsche, I.P. Grant Comput. Phys. Commun. 103(1997)277 |
| ADCB_v3_0 | CESD99 CESD99, a new version to represent atomic wave functions in a determinant basis. S. Fritzsche, J. Anton Comput. Phys. Commun. 124(2000)353 |
| ADCU_v1_0 | GRASP92 GRASP92: a package for large-scale relativistic atomic structure calculations. F.A. Parpia, C.F. Fischer, I.P. Grant Comput. Phys. Commun. 94(1996)249 |
| ADCU_v1_1 | GRASP92 GRASP92: a package for large-scale relativistic atomic structure calculations. F.A. Parpia, C. Froese Fischer, I.P. Grant Comput. Phys. Commun. 175(2006)745 |
| ADDN_v1_0 | HFS92 HFS92: a program for relativistic atomic hyperfine structure calculations. P. Jonsson, F.A. Parpia, C.F. Fischer Comput. Phys. Commun. 96(1996)301 |
| ADDV_v1_0 | ZAP_NO A general program for computing matrix elements in atomic structure with non-orthogonal orbitals. O. Zatsarinny Comput. Phys. Commun. 98(1996)235 |
| ADDZ_v1_0 | HF96 Extension of the HF program to partially filled f-subshells. G. Gaigalas, C.F. Fischer Comput. Phys. Commun. 98(1996)255 |
| ADEA_v1_0 | SINGLE CONFIGURATION DIRAC-FOCK Single configuration Dirac-Fock atom code. A.L. Ankudinov, S.I. Zabinsky, J.J. Rehr Comput. Phys. Commun. 98(1996)359 |
| ADEJ_v1_0 | REOS REOS, a program for relaxed-orbital oscillator strength calculations. S. Fritzsche, C.F. Fischer Comput. Phys. Commun. 99(1997)323 |
| ADEJ_v2_0 | REOS99 REOS99, a revised program for transition probability calculations including relativistic, correlation and relaxation effects. S. Fritzsche, C.F. Fischer, C.Z. Dong Comput. Phys. Commun. 124(2000)340 |
| ADEK_v1_0 | SMS92 SMS92: a program for relativistic isotope shift calculations. P. Jonsson, C.F. Fischer Comput. Phys. Commun. 100(1997)81 |
| ADJZ_v1_0 | RSCFHF AND RFCHF Two-program package to calculate the ground and excited state wave functions in the Hartree-Fock-Dirac approximation. L.V. Chernysheva, V.L. Yakhontov Comput. Phys. Commun. 119(1999)232 |
| ADLA_v1_0 | BREIT_NO A general program for computing angular integrals of the Breit-Pauli Hamiltonian with non-orthogonal orbitals. O. Zatsarinny, C.F. Fischer Comput. Phys. Commun. 124(2000)247 |
| ADLL_v1_0 | ASYMPT ASYMPT: a program for calculating asymptotics of hyperspherical potential curves and adiabatic potentials. A.G. Abrashkevich, I.V. Puzynin, S.I. Vinitsky Comput. Phys. Commun. 125(2000)259 |
| ADLY_v1_0 | ATSP_MCHF version 1.00 The MCHF atomic-structure package. C.F. Fischer Comput. Phys. Commun. 128(2000)635 |
| ADLY_v2_0 | ATSP2K An MCHF atomic-structure package for large-scale calculations Charlotte Froese Fischer, Georgio Tachiev, Gediminas Gaigalas, Michel R. Godefroid Comput. Phys. Commun. 176(2007)559 |
| ADNA_v1_0 | RCFP Calculation of reduced coefficients and matrix elements in jj- coupling. G. Gaigalas, S. Fritzsche Comput. Phys. Commun. 134(2001)86 |
| ADOK_v1_0 | DFRATOM An atomic Dirac-Fock-Roothaan program. O. Matsuoka, Y. Watanabe Comput. Phys. Commun. 139(2001)218 |
| ADOO_v1_0 | ANCO Program to calculate pure angular momentum coefficients in jj- coupling. G. Gaigalas, S. Fritzsche, I.P. Grant Comput. Phys. Commun. 139(2001)263 |
| ADOO_v2_0 | ANCO(2) Pure spin-angular momentum coefficients for non-scalar one-particle operators in jj-coupling. G. Gaigalas, S. Fritzsche Comput. Phys. Commun. 148(2002)349 |
| ADPD_v1_0 | UTILITIES UTILITIES for the RATIP package. S. Fritzsche Comput. Phys. Commun. 141(2001)163 |
| ADPD_v2_0 | UTILITIES (version 2) Revised and extended UTILITIES for the RATIP package J. Nikkinen, S. Fritzsche, S. Heinäsmäki Comput. Phys. Commun. 175(2006)348 |
| ADPN_v1_0 | ZEEMAN A program for computing weak and intermediate field Zeeman splittings from MCHF wave functions. P. Jonsson, S. Gustafsson Comput. Phys. Commun. 144(2002)188 |
| ADPY_v1_0 | GFACTOR2001 GFACTOR2001: a program for relativistic atomic g-factor calculations. T. Kondo Comput. Phys. Commun. 146(2002)261 |
| ADQH_v1_0 | RELCI RELCI: a program for relativistic configuration interaction calculations. S. Fritzsche, C.F. Fischer, G. Gaigalas Comput. Phys. Commun. 148(2002)103 |
| ADQU_v1_0 | cshf1e Complex-scaled Hartree-Fock wave functions for the frozen core: A B spline approach. L.A.A. Nikolopoulos, L.B. Madsen Comput. Phys. Commun. 151(2003)47 |
| ADTL_v1_0 | LSJ Spectroscopic LSJ notation for atomic levels obtained from relativistic calculations. G. Gaigalas, T. Zalandauskas, S. Fritzsche Comput. Phys. Commun. 157(2004)239 |
| ADTM_v1_0 | ATOTERM A program for generating configuration state lists in many-electron atoms. P. Bogdanovich, A. Momkauskaite Comput. Phys. Commun. 157(2004)217 |
| ADUQ_v1_0 | DIRAC Algebraic tools for dealing with the atomic shell model. I. Wavefunctions and integrals for hydrogen-like ions. Andrey Surzhykov, Peter Koval, Stephan Fritzsche Comput. Phys. Commun. 165(2005)139 |
| ADUQ_v2_0 | DIRAC DIRAC: A new version of computer algebra tools for studying the properties and behaviour of hydrogen-like ions. Sean McConnell, Stephan Fritzsche, Andrey Surzhykov Comput. Phys. Commun. 181(2010)711 |
| ADUX_v1_0 | corr2el A program for accurate solutions of two-electron atoms Sverker Edvardsson, Daniel Aberg, Per Uddholm Comput. Phys. Commun. 165(2005)260 |
| ADVR_v1_0 | atmscf Atomic Self-Consistent-Field Program by the Basis Set Expansion Method: Columbus Version Russell M. Pitzer Comput. Phys. Commun. 170(2005)239 |
| ADVR_v2_0 | atmscf Changes to Atomic Self-Consistent-Field Program by the Basis Set Expansion Method: Columbus Version Russell M. Pitzer Comput. Phys. Commun. 183(2012)1841 |
| ADWD_v1_0 | SELECTCONF A program of generation and selection of configurations for the configuration interaction method in atomic calculations SELECTCONF. P. Bogdanovich, R. Karpuskiene, A. Momkauskaite Comput. Phys. Commun. 172(2005)133 |
| ADZH_v1_0 | KANTBP KANTBP: A program for computing energy levels, reaction matrix and radial wave functions in the coupled-channel hyperspherical adiabatic approach O. Chuluunbaatar, A.A. Gusev, A.G. Abrashkevich, A. Amaya-Tapia, M.S. Kaschiev, S.Y. Larsen, S.I. Vinitsky Comput. Phys. Commun. 177(2007)649 |
| ADZH_v2_0 | KANTBP KANTBP 2.0: New version of a program for computing energy levels, reaction matrix and radial wave functions in the coupled-channel hyperspherical adiabatic approach. O. Chuluunbaatar, A.A. Gusev, S.I. Vinitsky, A.G. Abrashkevich Comput. Phys. Commun. 179(2008)685 |
| ADZL_v1_0 | grasp2K The grasp2K relativistic atomic structure package P. Jönsson, X. He, C. Froese Fischer, I.P. Grant Comput. Phys. Commun. 177(2007)597 |
| AECC_v1_0 | HFFEM A Fast Parallel Code for Calculating Energies and Oscillator Strengths of Many-Electron Atoms at Neutron Star Magnetic Field Strengths in Adiabatic Approximation D. Engel, M. Klews, G. Wunner Comput. Phys. Commun. 180(2009)302 |
| AECC_v2_0 | HFFERII A highly optimized code for calculating atomic data at neutron star magnetic field strengths using a doubly self-consistent Hartree-Fock-Roothaan method C. Schimeczek, D. Engel, G. Wunner Comput. Phys. Commun. 183(2012)1502 |
| AEDV_v1_0 | ODPEVP ODPEVP: A program for computing eigenvalues and eigenfunctions and their first derivatives with respect to the parameter of the parametric self-adjoined Sturm-Liouville problem O. Chuluunbaatar, A.A. Gusev, S.I. Vinitsky, A.G. Abrashkevich Comput. Phys. Commun. 180(2009)1358 |
| AEFK_v1_0 | TwoElAtom-S The two-electron atomic systems. S-states. Evgeny Z. Liverts, Nir Barnea Comput. Phys. Commun. 181(2010)206 |
| AEFR_v1_0 | DENSITY Multiconfiguration electron density function for the ATSP2K-package A. Borgoo, O. Scharf, G. Gaigalas, M. Godefroid Comput. Phys. Commun. 181(2010)426 |
| AEGI_v1_0 | NWChem NWChem: a comprehensive and scalable open-source solution for large scale molecular simulations M. Valiev, E.J. Bylaska, N. Govind, K. Kowalski, T.P. Straatsma, H.J.J. Van Dam, D. Wang, J. Nieplocha, E. Apra, T.L. Windus, W.A. de Jong Comput. Phys. Commun. 181(2010)1477 |
| AEHY_v1_0 | TwoElAtomSL(SH) S - states of helium-like ions Evgeny Z. Liverts, Nir Barnea Comput. Phys. Commun. 182(2011)1790 |
| AEHY_v2_0 | TwoElAtomSL(SH) S - states of helium-like ions Evgeny Z. Liverts, Nir Barnea Comput. Phys. Commun. 183(2012)844 |
| AEIJ_v1_0 | SPHF version 1.00 A B-spline Hartree-Fock program Charlotte Froese Fischer Comput. Phys. Commun. 182(2011)1315 |
| AEKX_v1_0 | RCE_H-like_1 Resonant Coherent Excitation of Hydrogen-like Ions Planar Channeled in a Crystal. Transition into the First Excited State A. Babaev, Yu. L. Pivovarov Comput. Phys. Commun. 183(2012)705 |
| AELX_v1_0 | MH2c (MH helix curves) MH2c: Characterization of major histocompatibility α-helices - An Information Criterion Approach B. Hischenhuber, F. Frommlet, W. Schreiner, B. Knapp Comput. Phys. Commun. 183(2012)1481 |
| AEMA_v1_0 | RATIP The RATIP program for relativistic calculations of atomic transition, ionization and recombination properties S. Fritzsche Comput. Phys. Commun. 183(2012)1525 |
| AEPA_v1_0 | dftatom dftatom: A robust and general Schrödinger and Dirac solver for atomic structure calculations Ondrej Certík, John E. Pask, Jirí Vackar Comput. Phys. Commun. 184(2013)1777 |
| 2.2 | Spectra |
| AANQ_v1_0 | MQDTAC A program for analysing the Rydberg series of highly excited discrete spectra by M.Q.D.T. O. Robaux, M. Aymar Comput. Phys. Commun. 25(1982)223 |
| AAOV_v1_0 | AUGER-TRANSITIONS CLASSIFICATION Classification of Auger-transitions in LS-coupling. D. Ridder Comput. Phys. Commun. 28(1982)201 |
| ABKD_v1_0 | RITZ COMBINATION PRINCIPLE Program for fitting transition energies into a level scheme according to the combination principle. I.R. Williams Comput. Phys. Commun. 1(1970)465 |
| ABRV_v1_0 | BREMPNT Bremsstrahlung cross section for a point, spinless target. A. Minter, D.A. Jenkins Comput. Phys. Commun. 59(1990)499 |
| ACWW_v1_0 | COMPTON CROSS SECTIONS Non-relativistic form factor program for Compton scattering of gamma rays by bound electrons. F. Smend, M. Schumacher Comput. Phys. Commun. 11(1976)363 |
| ACYJ_v1_0 | BREMSSTRAHLUNG INTENSITY (NR) A program for calculating the angular distribution of nonrelativistic bremsstrahlung intensity. A. Banuelos, F. Rodriguez-Trelles Comput. Phys. Commun. 15(1978)125 |
| ACYJ_v1_0 | 0001 BREMSSTRAHLUNG INTENSITY 2 Extension to high frequencies of a program for calculating the angular distribution of nonrelativistic bremsstrahlung. A. Banuelos, F. Rodriguez-Trelles, L. Bilbao Comput. Phys. Commun. 17(1979)305 |
| ADEJ_v1_0 | REOS REOS, a program for relaxed-orbital oscillator strength calculations. S. Fritzsche, C.F. Fischer Comput. Phys. Commun. 99(1997)323 |
| ADEJ_v2_0 | REOS99 REOS99, a revised program for transition probability calculations including relativistic, correlation and relaxation effects. S. Fritzsche, C.F. Fischer, C.Z. Dong Comput. Phys. Commun. 124(2000)340 |
| ADTK_v1_0 | OPFSpectraFinder A new algorithm for fast simulation of optical spectra generated in a nonlinear media Vladislav Beskrovnyy, Pascal Baldi Comput. Phys. Commun. 160(2004)204 |
| ADUU_v1_0 | ba5 A program to compute exact hydrogenic radial integrals, oscillator strengths, and Einstein coefficients, for principal quantum numbers up to n ≈ 1000. D. Hoang-Binh Comput. Phys. Commun. 166(2005)191 |
| ADUU_v2_0 | ba5.2 A program to compute exact hydrogenic radial integrals, oscillator strengths, Einstein coefficients and lifetimes for principal quantum numbers up to 1000. Hoang-Binh Dy Comput. Phys. Commun. 180(2009)2020 |
| AEFK_v1_0 | TwoElAtom-S The two-electron atomic systems. S-states. Evgeny Z. Liverts, Nir Barnea Comput. Phys. Commun. 181(2010)206 |
| AEGI_v1_0 | NWChem NWChem: a comprehensive and scalable open-source solution for large scale molecular simulations M. Valiev, E.J. Bylaska, N. Govind, K. Kowalski, T.P. Straatsma, H.J.J. Van Dam, D. Wang, J. Nieplocha, E. Apra, T.L. Windus, W.A. de Jong Comput. Phys. Commun. 181(2010)1477 |
| AEHM_v1_0 | LOPT The program LOPT for least-squares optimization of energy levels A.E. Kramida Comput. Phys. Commun. 182(2011)419 |
| AEHY_v1_0 | TwoElAtomSL(SH) S - states of helium-like ions Evgeny Z. Liverts, Nir Barnea Comput. Phys. Commun. 182(2011)1790 |
| AEHY_v2_0 | TwoElAtomSL(SH) S - states of helium-like ions Evgeny Z. Liverts, Nir Barnea Comput. Phys. Commun. 183(2012)844 |
| AEKK_v1_0 | IONIS IONIS: Approximate atomic photoionization intensities Sami Heinäsmäki Comput. Phys. Commun. 183(2012)431 |
| AEKO_v1_0 | assembleFermiMatrix A general spectral method for the numerical simulation of one-dimensional interacting fermions Christian Clason, Gregory von Winckel Comput. Phys. Commun. 183(2012)405 |
| AEKO_v1_1 | assembleFermiMatrix A general spectral method for the numerical simulation of one-dimensional interacting fermions Christian Clason, Gregory von Winckel Comput. Phys. Commun. 183(2012)1843 |
| AEOW_v1_0 | FAST: The FTS Atomic Spectrum Tool The FTS Atomic Spectrum Tool (FAST) for rapid analysis of line spectra M.P. Ruffoni Comput. Phys. Commun. 184(2013)1770 |
| 2.3 | Experimental Analysis |
| AAED_v1_0 | HOMER A program for the extraction of radiative lifetimes from experimental beam-foil intensity decay data. D.J.G. Irwin, A.E. Livingston Comput. Phys. Commun. 7(1974)95 |
| AAGK_v1_0 | POSITRONFIT POSITRONFIT: a versatile program for analysing positron lifetime spectra. P. Kirkegaard, M. Eldrup Comput. Phys. Commun. 3(1972)240 |
| AAGX_v1_0 | POSITRONFIT EXTENDED POSITRONFIT EXTENDED: a new version of a program for analysing positron lifetime spectra. P. Kirkegaard, M. Eldrup Comput. Phys. Commun. 7(1974)401 |
| AAGZ_v1_0 | DBLCON DBLCON: a version of POSITRONFIT with non-Gaussian prompt for analysing positron lifetime spectra. W.K. Warburton Comput. Phys. Commun. 13(1977)371 |
| AAHI_v1_0 | INTERACTIVE POSITRONFIT INTERACTIVE POSITRONFIT: a new version of a program for analysing positron lifetime spectra. C.J. Virtue, R.J. Douglas, B.T.A. McKee Comput. Phys. Commun. 15(1978)97 |
| AAHN_v1_0 | POSDIF POSDIF: a program to compute positron diffusion and annihilation in rare gases. R.I. Campeanu Comput. Phys. Commun. 25(1982)433 |
| AAKE_v1_0 | CALOR Wave number calculation from least-squares level values. L.J. Radziemski Jr., K.J. Fisher, D.W. Steinhaus, A.S. Goldman Comput. Phys. Commun. 3(1972)19 |
| AANN_v1_0 | PATFIT Program system for analysing positron lifetime spectra and angular correlation curves. P. Kirkegaard, M. Eldrup, O.E. Mogensen, N.J. Pedersen Comput. Phys. Commun. 23(1981)307 |
| AARV_v1_0 | MONIT A spectrum data processing system. T.P. Hult, S.P. Svensson, T.G. Andersson Comput. Phys. Commun. 25(1982)417 |
| ABJB_v1_0 | SYNCHR88 Synchrotron radiation flux at experimental stations. J.S. Reid Comput. Phys. Commun. 54(1989)307 |
| ACPU_v1_0 | EMI EMI: the counting efficiency for electron capture, electron capture- gamma and isomeric transitions. A. Grau Carles, A. Grau Malonda, P. Grau Carles Comput. Phys. Commun. 79(1994)115 |
| ACPU_v2_0 | EMI2 EMI2, the counting efficiency for electron capture by a KL1L2L3M model. A. Grau Malonda, A. Grau Carles, P. Grau Carles, G. Galiano Casas Comput. Phys. Commun. 123(1999)114 |
| ACPU_v3_0 | MICELLE MICELLE, the micelle size effect on the LS counting efficiency A. Grau Carles Comput. Phys. Commun. 176(2007)305 |
| ACQR_v1_0 | SYNCHROTRON RADIATION Spectral intensity, angular distribution and polarisation of synchrotron radiation from a monoenergetic electron. J. Lang Comput. Phys. Commun. 1(1970)440 |
| ADCX_v1_0 | CONTUR CONTUR: a program for X-ray photoemission spectroscopic personal computer-based data analysis. G. Contini, S. Turchini Comput. Phys. Commun. 94(1996)49 |
| ADPH_v1_0 | ScatterTomo version 1.1 Software for X-ray fluorescence and scattering tomographic reconstruction. A. Brunetti, B. Golosio Comput. Phys. Commun. 141(2001)412 |
| ADZO_v1_0 | AdiabaticRotor Moment distributions of clusters and molecules in the adiabatic rotor model G. E. Ballentine, G. F. Bertsch, N. Onishi, K. Yabana Comput. Phys. Commun. 178(2008)48 |
| AEEC_v1_0 | mqmasOPT Optimized Multiple Quantum MAS Lineshape Simulations in Solid State NMR William J. Brouwer, Michael C. Davis, Karl T. Mueller Comput. Phys. Commun. 180(2009)1973 |
| AEMP_v1_0 | CASS CASS - CFEL-ASG Software Suite Lutz Foucar, Anton Barty, Nicola Coppola, Robert Hartmann, Peter Holl, Uwe Hoppe, Stephan Kassemeyer, Nils Kimmel, Jochen Küpper, Mirko Scholz, Simone Techert, Thomas A. White, Lothar Strüder, Joachim Ullrich Comput. Phys. Commun. 183(2012)2207 |
| AENN_v1_0 | VSHEC VSHEC - a Program for the Automatic Spectrum Calibration V.B. Zlokazov, V.K. Utyonkov, Yu.S. Tsyganov Comput. Phys. Commun. 184(2013)428 |
| AEOW_v1_0 | FAST: The FTS Atomic Spectrum Tool The FTS Atomic Spectrum Tool (FAST) for rapid analysis of line spectra M.P. Ruffoni Comput. Phys. Commun. 184(2013)1770 |
| 2.4 | Electron Scattering |
| AAGB_v1_0 | SIMMEG Collision strengths from reactance matrices. H.E. Saraph Comput. Phys. Commun. 1(1970)232 |
| AAGH_v1_0 | SCATTERING AMPLITUDES Amplitudes for scattering of electrons by hydrogenic and alkali-like atomic systems. D.L. Moores Comput. Phys. Commun. 2(1971)360 |
| AAGH_v1_0 | 000A CORRECTION 24/8/84 Amplitudes for scattering of electrons by hydrogenic and alkali-like atomic systems. (C.P.C. 2(1971)360). D.L. Moores Comput. Phys. Commun. 34(1984)224 |
| AAGJ_v1_0 | JAJOM Fine structure cross sections from reactance matrices. H.E. Saraph Comput. Phys. Commun. 3(1972)256 |
| AAGJ_v2_0 | JAJOMPRE Fine structure cross sections from reactance matrices: a more versatile development of the program JAJOM. H.E. Saraph Comput. Phys. Commun. 15(1978)247 |
| AAGV_v1_0 | SHIFTA Phase shift analysis and consistency checks on electron-atom collision data. P.F. Naccache, M.R.C. McDowell Comput. Phys. Commun. 6(1973)77 |
| AAGW_v1_0 | POLORB Electron impact excitation cross sections. M.R.C. McDowell, L. Morgan, V.P. Myerscough Comput. Phys. Commun. 7(1974)38 |
| AAHA_v1_0 | RMATRX STG1 A general program to calculate atomic continuum processes using the R- matrix method. K.A. Berrington, P.G. Burke, J.J. Chang, A.T. Chivers, W.D. Robb, K.T. Taylor Comput. Phys. Commun. 8(1974)149 |
| AAHB_v1_0 | RMATRX STG2 A general program to calculate atomic continuum processes using the R- matrix method. K.A. Berrington, P.G. Burke, J.J. Chang, A.T. Chivers, W.D. Robb, K.T. Taylor Comput. Phys. Commun. 8(1974)149 |
| AAHC_v1_0 | RMATRX STG3 A general program to calculate atomic continuum processes using the R- matrix method. K.A. Berrington, P.G. Burke, J.J. Chang, A.T. Chivers, W.D. Robb, K.T. Taylor Comput. Phys. Commun. 8(1974)149 |
| AAHF_v1_0 | A NEW VERSION OF RMATRX STG1 A new version of the general program to calculate atomic continuum processes using the R-matrix method. K.A. Berrington, P.G. Burke, M. Le Dourneuf, W.D. Robb, K.T. Taylor, V.K. Lan Comput. Phys. Commun. 14(1978)367 |
| AAHG_v1_0 | A NEW VERSION OF RMATRX STG2 A new version of the general program to calculate atomic continuum processes using the R-matrix method. K.A. Berrington, P.G. Burke, M. Le Dourneuf, W.D. Robb, K.T. Taylor, V.K. Lan Comput. Phys. Commun. 14(1978)367 |
| AAHH_v1_0 | A NEW VERSION OF RMATRX STG3 A new version of the general program to calculate atomic continuum processes using the R-matrix method. K.A. Berrington, P.G. Burke, M. Le Dourneuf, W.D. Robb, K.T. Taylor, V.K. Lan Comput. Phys. Commun. 14(1978)367 |
| AAHH_v1_0 | 0001 R-MATRIX POLARIZABILITIES R-matrix dynamic dipole polarizabilities. P. Shorer Comput. Phys. Commun. 22(1981)467 |
| AAIA_v1_0 | ATOMNP A computer program for the calculation of electron scattering and photoionization cross sections of atomic systems with configuration (np)q. See erratum Comp. Phys. Commun. 1(1970)470. M.J. Conneely, L. Lipsky, K. Smith, P.G. Burke, R.J.W. Henry Comput. Phys. Commun. 1(1970)306 |
| AAJA_v1_0 | ASYPCK ASYPCK: a program for calculating asymptotic solutions of the coupled equations of electron collision theory. M.A. Crees Comput. Phys. Commun. 19(1980)103 |
| AAJA_v2_0 | ASYPCK2 ASYPCK2, an extended version of ASYPCK. M.A. Crees Comput. Phys. Commun. 23(1981)181 |
| AAJA_v3_0 | ASYSLIM A streamlined version of ASYPCK2, an extended version of ASYPCK. M.A. Crees Comput. Phys. Commun. 23(1981)181 |
| AAJB_v1_0 | ASYPRO Preprocessor for ASYPCK: a program for calculating asymptotic solutions of the coupled equations of electron collision theory. M.A. Crees Comput. Phys. Commun. 19(1980)103 |
| AAJB_v2_0 | ASYPRO2 Preprocessor for ASYPCK2, an extended version of ASYPCK. M.A. Crees Comput. Phys. Commun. 23(1981)181 |
| AAJG_v1_0 | NIEM POTC1 A general program to calculate atomic continuum processes using the NIEM method. R.J.W. Henry, S.P. Rountree, E.R. Smith Comput. Phys. Commun. 23(1981)233 |
| AAJH_v1_0 | NIEM NIES2 A general program to calculate atomic continuum processes using the NIEM method. R.J.W. Henry, S.P. Rountree, E.R. Smith Comput. Phys. Commun. 23(1981)233 |
| AAJI_v1_0 | NIEM ASYM3 A general program to calculate atomic continuum processes using the NIEM method. R.J.W. Henry, S.P. Rountree, E.R. Smith Comput. Phys. Commun. 23(1981)233 |
| AAKY_v1_0 | LSTOIC Intermediate coupling collision strengths from LS coupled R-matrix elements. R.E.H. Clark Comput. Phys. Commun. 16(1978)119 |
| AALF_v1_0 | RECREM Recurrence relations for Coulomb excitation electric multipole radial matrix elements. L.D. Tolsma Comput. Phys. Commun. 41(1986)41 |
| AANP_v1_0 | SEPDE A non-iterative method for solving PDE's arising in electron scattering. E.C. Sullivan, A. Temkin Comput. Phys. Commun. 25(1982)97 |
| AANR_v1_0 | RMATRX STG1R A general program to calculate atomic continuum processes incorporating model potentials and the Breit-Pauli Hamiltonian within the R-matrix method. N.S. Scott, K.T. Taylor Comput. Phys. Commun. 25(1982)347 |
| AANS_v1_0 | RMATRX STG2R A general program to calculate atomic continuum processes incorporating model potentials and the Breit-Pauli Hamiltonian within the R-matrix method. N.S. Scott, K.T. Taylor Comput. Phys. Commun. 25(1982)347 |
| AANT_v1_0 | RMATRX RECUP A general program to calculate atomic continuum processes incorporating model potentials and the Breit-Pauli Hamiltonian within the R-matrix method. N.S. Scott, K.T. Taylor Comput. Phys. Commun. 25(1982)347 |
| AANU_v1_0 | RMATRX RECUD A general program to calculate atomic continuum processes incorporating model potentials and the Breit-Pauli Hamiltonian within the R-matrix method. N.S. Scott, K.T. Taylor Comput. Phys. Commun. 25(1982)347 |
| AANV_v1_0 | RMATRX STG3R A general program to calculate atomic continuum processes incorporating model potentials and the Breit-Pauli Hamiltonian within the R-matrix method. N.S. Scott, K.T. Taylor Comput. Phys. Commun. 25(1982)347 |
| AANW_v1_0 | MOMTRANF A new program to calculate differential and total cross sections for electron-atom or ion scattering using the momentum transfer formalism. S.A. Salvini Comput. Phys. Commun. 27(1982)25 |
| AANW_v1_0 | 000ACORRECTION 26/09/88 A new program to calculate differential and total cross sections for electron-atom or ion scattering using the momentum transfer formalism. (C.P.C. 27(1982)25). S.A. Salvini Comput. Phys. Commun. 52(1988)165 |
| AAXK_v1_0 | BETRT A procedure to evaluate the cross section for electron-hydrogen collisions in the Bethe approximation to the reactance matrix. A. Burgess, C.T. Whelan Comput. Phys. Commun. 47(1987)295 |
| ABRP_v1_0 | CEFEUSK K-matrix calculation for general nonlocal potentials. J. Horacek, J. Bok Comput. Phys. Commun. 59(1990)319 |
| ACCT_v1_0 | CFASYM CFASYM: a program for the calculation of the asymptotic solutions of the coupled equations of electron collision theory. C.J. Noble, R.K. Nesbet Comput. Phys. Commun. 33(1984)399 |
| ACDU_v1_0 | SKEW SKEW: program for calculation of electron scattering amplitudes on atomic potential using spin-orbit relativistic correction. E. Pilipczuk, I. Pilipczuk Comput. Phys. Commun. 36(1985)101 |
| ACFE_v1_0 | SCATTAMPREL Amplitudes for scattering of electrons by atomic systems including relativistic effects. K. Bartschat, N.S. Scott Comput. Phys. Commun. 30(1983)369 |
| ACFF_v1_0 | OBSERVABLES Program to calculate observable quantities from scattering amplitudes for inelastic electron-atom collisions. K. Bartschat Comput. Phys. Commun. 30(1983)383 |
| ACGP_v1_0 | RMATRX NX A new no-exchange R-matrix program. V.M. Burke, P.G. Burke, N.S. Scott Comput. Phys. Commun. 69(1992)76 |
| ACJX_v1_0 | PWASCH AND PWADIR Elastic scattering of electrons and positrons by atoms. Schrodinger and Dirac partial wave analysis. F. Salvat, R. Mayol Comput. Phys. Commun. 74(1993)358 |
| ACLH_v1_0 | AVTMAT Averaging of pseudoresonant T-matrix elements. T.T. Scholz Comput. Phys. Commun. 74(1993)256 |
| ACLN_v1_0 | RMATRX-ION RMATRX-ION: a program to calculate electron and positron impact ionization within the R-matrix method. K. Bartschat Comput. Phys. Commun. 75(1993)219 |
| ACQE_v1_0 | ASYM Asymptotic solution of coupled equations for electron scattering. D.W. Norcross Comput. Phys. Commun. 1(1969)88 |
| ACQX_v1_0 | A SCAT A program for calculating relativistic elastic electron-atom collision data. A.C. Yates Comput. Phys. Commun. 2(1971)175 |
| ACRK_v1_0 | ASYM VERSION FOR ICL 1900 A new version of the program to compute the asymptotic solution of coupled equations for electron scattering. A.T. Chivers Comput. Phys. Commun. 5(1973)416 |
| ACVN_v1_0 | ALKALI-OBSERVABLES Electron scattering from quasi one-electron targets: experimental observables versus theoretical scattering amplitudes. K. Bartschat, N. Andersen Comput. Phys. Commun. 84(1994)335 |
| ACVT_v1_0 | FARM GUI GRACE: the problem specification stage II. N.S. Scott, J. Johnston, V.M. Burke, C.J. Noble, D.W. Busby Comput. Phys. Commun. 84(1994)317 |
| ACYD_v1_0 | LAG 1 A program for calculating elastic scattering phase shifts for an electron colliding with a one-electron target using perturbation theory. E. McGreevy, A.L. Stewart Comput. Phys. Commun. 14(1978)99 |
| ACYE_v1_0 | IMPACT IMPACT: a program for the solution of the coupled integro- differential equations of electron-atom collision theory. M.A. Crees, M.J. Seaton, P.M.H. Wilson Comput. Phys. Commun. 15(1978)23 |
| ACYF_v1_0 | IMPPRO Preprocessor for IMPACT: a program for the solution of the coupled integro-differential equations of electron-atom collision theory. M.A. Crees, M.J. Seaton, P.M.H. Wilson Comput. Phys. Commun. 15(1978)23 |
| ACYF_v1_0 | 0001ADAPT IMPPRO FOR ECSIMPACT Preprocessor for ECSIMPACT: a special version of program IMPACT for CDC machines with ex-core memory. H.E. Saraph Comput. Phys. Commun. 18(1979)287 |
| ACZK_v1_0 | ECSIMPACT ECSIMPACT: a special version of program IMPACT for CDC machines with ex-core memory. T.M. Luke, H.E. Saraph Comput. Phys. Commun. 18(1979)287 |
| ADAW_v1_0 | MET_cross The multichannel eikonal theory program for electron-atom scattering. E.J. Mansky, M.R. Flannery Comput. Phys. Commun. 88(1995)249 |
| ADAX_v1_0 | Vij Automatic generation of analytical matrix elements for electron-atom scattering. E.J. Mansky, M.R. Flannery Comput. Phys. Commun. 88(1995)278 |
| ADAY_v1_0 | MET_states The multichannel eikonal theory program for electron-atom scattering. E.J. Mansky, M.R. Flannery Comput. Phys. Commun. 88(1995)249 |
| ADAZ_v1_0 | FARM FARM: a flexible asymptotic R-matrix package. V.M. Burke, C.J. Noble Comput. Phys. Commun. 85(1995)471 |
| ADAZ_v1_1 | FARM_2DRMP FARM_2DRMP: a version of FARM for use with 2DRMP V.M. Burke, C.J. Noble, V. Faro-Maza, A. Maniopoulou, N.S. Scott Comput. Phys. Commun. 180(2009)2450 |
| ADBZ_v1_0 | HSTERM HSTERM, a program to calculate potential curves and radial matrix elements for two-electron systems within the hyperspherical adiabatic approach. A.G. Abrashkevich, D.G. Abrashkevich, M. Shapiro Comput. Phys. Commun. 90(1995)311 |
| ADCP_v1_0 | RMATRX1 RMATRX1: Belfast atomic R-matrix codes. K.A. Berrington, W.B. Eissner, P.H. Norrington Comput. Phys. Commun. 92(1995)290 |
| ADJC_v1_0 | QB The QB program: analysing resonances using R-matrix theory. L. Quigley, K.A. Berrington, J. Pelan Comput. Phys. Commun. 114(1998)225 |
| ADJE_v1_0 | VisRes 2.00 VisRes: a GRACE tool for displaying and analysing resonances. D.W. Busby, P.G. Burke, V.M. Burke, C.J. Noble, N.S. Scott Comput. Phys. Commun. 114(1998)243 |
| ADJG_v1_0 | UCLDW The UCL distorted wave code. W. Eissner Comput. Phys. Commun. 114(1998)295 |
| ADJH_v1_0 | Elastic, Green-pot Elastic - elastic scattering of electrons from ions and atoms. D.R. Schultz, C.O. Reinhold Comput. Phys. Commun. 114(1998)342 |
| ADKU_v1_0 | CHARGE_CLOUD_MOVIES Simulation of collisionally excited atomic states. D. Loveall, M.B. Hamley, B.J. Miller, K. Bartschat Comput. Phys. Commun. 124(2000)90 |
| ADLL_v1_0 | ASYMPT ASYMPT: a program for calculating asymptotics of hyperspherical potential curves and adiabatic potentials. A.G. Abrashkevich, I.V. Puzynin, S.I. Vinitsky Comput. Phys. Commun. 125(2000)259 |
| ADMM_v1_0 | HBrowse 2.00 HBrowse: a GRACE tool for browsing R-matrix H-files. D.W. Busby, P.G. Burke, V.M. Burke, C.J. Noble, N.S. Scott, I.T.A. Spence Comput. Phys. Commun. 131(2000)202 |
| ADPV_v1_0 | GTOBAS GTOBAS: fitting continuum functions with Gaussian-type orbitals. A. Faure, J.D. Gorfinkiel, L.A. Morgan, J. Tennyson Comput. Phys. Commun. 144(2002)224 |
| ADPW_v1_0 | NUMCBAS GTOBAS: fitting continuum functions with Gaussian-type orbitals. A. Faure, J.D. Gorfinkiel, L.A. Morgan, J. Tennyson Comput. Phys. Commun. 144(2002)224 |
| ADRI_v1_0 | MJK MJK: a program to calculate observable quantities in electron-atom collisions. A.N. Grum-Grzhimailo Comput. Phys. Commun. 152(2003)101 |
| ADRZ_v1_0 | BIX Born total ionisation cross sections: an algebraic computing program using Maple. P.L. Bartlett, A.T. Stelbovics Comput. Phys. Commun. 154(2003)159 |
| ADUS_v1_0 | ELSEPA ELSEPA-Dirac partial-wave calculation of elastic scattering of electrons and positrons by atoms, positive ions and molecules. Francesc Salvat, Aleksander Jablonski, Cedric J. Powell Comput. Phys. Commun. 165(2005)157 |
| ADWY_v1_0 | BSR BSR: B-spline atomic R-matrix codes Oleg Zatsarinny Comput. Phys. Commun. 174(2006)273 |
| ADYL_v1_0 | FERM3D FERM3D: A finite element R-matrix electron molecule scattering code Stefano Tonzani Comput. Phys. Commun. 176(2007)146 |
| ADZH_v1_0 | KANTBP KANTBP: A program for computing energy levels, reaction matrix and radial wave functions in the coupled-channel hyperspherical adiabatic approach O. Chuluunbaatar, A.A. Gusev, A.G. Abrashkevich, A. Amaya-Tapia, M.S. Kaschiev, S.Y. Larsen, S.I. Vinitsky Comput. Phys. Commun. 177(2007)649 |
| ADZH_v2_0 | KANTBP KANTBP 2.0: New version of a program for computing energy levels, reaction matrix and radial wave functions in the coupled-channel hyperspherical adiabatic approach. O. Chuluunbaatar, A.A. Gusev, S.I. Vinitsky, A.G. Abrashkevich Comput. Phys. Commun. 179(2008)685 |
| AEDV_v1_0 | ODPEVP ODPEVP: A program for computing eigenvalues and eigenfunctions and their first derivatives with respect to the parameter of the parametric self-adjoined Sturm-Liouville problem O. Chuluunbaatar, A.A. Gusev, S.I. Vinitsky, A.G. Abrashkevich Comput. Phys. Commun. 180(2009)1358 |
| AEEA_v1_0 | 2DRMP: 2DRMP: a suite of two-dimensional R-matrix propagation codes N.S. Scott, M.P. Scott, P.G. Burke, T. Stitt, V. Faro-Maza a, C. Denis, A. Maniopoulou Comput. Phys. Commun. 180(2009)2424 |
| AEIV_v1_0 | AUTOSTRUCTURE A Breit-Pauli distorted wave implementation for AUTOSTRUCTURE N. R. Badnell Comput. Phys. Commun. 182(2011)1528 |
| AEJY_v1_0 | raft C-library raft: reconstruction algorithms for tomography. Applications to X-ray Fluorescence Tomography Eduardo X. Miqueles, Alvaro R. De Pierro Comput. Phys. Commun. 182(2011)2661 |
| AEMC_v1_0 | CHANDRAS An effective algorithm for calculating the Chandrasekhar function A. Jablonski Comput. Phys. Commun. 183(2012)1773 |
| AEMC_v2_0 | CHANDRAS_v2 Improved algorithm for calculating the Chandrasekhar function A. Jablonski Comput. Phys. Commun. 184(2013)440 |
| AENP_v1_0 | DEPOSIT The DEPOSIT computer code: calculations of electron-loss cross sections for complex ions colliding with neutral atoms. Mikhail S. Litsarev Comput. Phys. Commun. 184(2013)432 |
| 2.5 | Photon Interactions |
| AAGY_v1_0 | RAYLEIGH FORM FACTORS Form factor program for Rayleigh scattering of gamma rays by bound electrons. F. Smend, M. Schumacher Comput. Phys. Commun. 7(1974)389 |
| AAGY_v1_0 | 000ACORRECTION 25/09/75 Form factor program for Rayleigh scattering of gamma rays by bound electrons. (C.P.C. 7(1974)389). F. Smend, M. Schumacher Comput. Phys. Commun. 10(1975)257 |
| AAHA_v1_0 | RMATRX STG1 A general program to calculate atomic continuum processes using the R- matrix method. K.A. Berrington, P.G. Burke, J.J. Chang, A.T. Chivers, W.D. Robb, K.T. Taylor Comput. Phys. Commun. 8(1974)149 |
| AAHB_v1_0 | RMATRX STG2 A general program to calculate atomic continuum processes using the R- matrix method. K.A. Berrington, P.G. Burke, J.J. Chang, A.T. Chivers, W.D. Robb, K.T. Taylor Comput. Phys. Commun. 8(1974)149 |
| AAHC_v1_0 | RMATRX STG3 A general program to calculate atomic continuum processes using the R- matrix method. K.A. Berrington, P.G. Burke, J.J. Chang, A.T. Chivers, W.D. Robb, K.T. Taylor Comput. Phys. Commun. 8(1974)149 |
| AAHF_v1_0 | A NEW VERSION OF RMATRX STG1 A new version of the general program to calculate atomic continuum processes using the R-matrix method. K.A. Berrington, P.G. Burke, M. Le Dourneuf, W.D. Robb, K.T. Taylor, V.K. Lan Comput. Phys. Commun. 14(1978)367 |
| AAHG_v1_0 | A NEW VERSION OF RMATRX STG2 A new version of the general program to calculate atomic continuum processes using the R-matrix method. K.A. Berrington, P.G. Burke, M. Le Dourneuf, W.D. Robb, K.T. Taylor, V.K. Lan Comput. Phys. Commun. 14(1978)367 |
| AAHH_v1_0 | A NEW VERSION OF RMATRX STG3 A new version of the general program to calculate atomic continuum processes using the R-matrix method. K.A. Berrington, P.G. Burke, M. Le Dourneuf, W.D. Robb, K.T. Taylor, V.K. Lan Comput. Phys. Commun. 14(1978)367 |
| AAHH_v1_0 | 0001 R-MATRIX POLARIZABILITIES R-matrix dynamic dipole polarizabilities. P. Shorer Comput. Phys. Commun. 22(1981)467 |
| AANR_v1_0 | RMATRX STG1R A general program to calculate atomic continuum processes incorporating model potentials and the Breit-Pauli Hamiltonian within the R-matrix method. N.S. Scott, K.T. Taylor Comput. Phys. Commun. 25(1982)347 |
| AANS_v1_0 | RMATRX STG2R A general program to calculate atomic continuum processes incorporating model potentials and the Breit-Pauli Hamiltonian within the R-matrix method. N.S. Scott, K.T. Taylor Comput. Phys. Commun. 25(1982)347 |
| AANT_v1_0 | RMATRX RECUP A general program to calculate atomic continuum processes incorporating model potentials and the Breit-Pauli Hamiltonian within the R-matrix method. N.S. Scott, K.T. Taylor Comput. Phys. Commun. 25(1982)347 |
| AANU_v1_0 | RMATRX RECUD A general program to calculate atomic continuum processes incorporating model potentials and the Breit-Pauli Hamiltonian within the R-matrix method. N.S. Scott, K.T. Taylor Comput. Phys. Commun. 25(1982)347 |
| AANV_v1_0 | RMATRX STG3R A general program to calculate atomic continuum processes incorporating model potentials and the Breit-Pauli Hamiltonian within the R-matrix method. N.S. Scott, K.T. Taylor Comput. Phys. Commun. 25(1982)347 |
| AAXB_v1_0 | PHOTUC PHOTUC: oscillator strengths and photoionization cross sections from close coupling wavefunctions. H.E. Saraph Comput. Phys. Commun. 46(1987)107 |
| ABTE_v1_0 | FRFRTR Subroutines for the evaluation of cross sections of one-photon radiative processes occuring in fast-electron H-atom collisions. A. Dubois, A. Maquet Comput. Phys. Commun. 60(1990)271 |
| ABTF_v1_0 | BREMSS Subroutines for the evaluation of cross sections of one-photon radiative processes occuring in fast-electron H-atom collisions. A. Dubois, A. Maquet Comput. Phys. Commun. 60(1990)271 |
| ACCN_v1_0 | RAYLEIGH DHFS RFF AND MRFF Rayleigh self consistent relativistic form factors and modified form factors. D. Schaupp, M. Schumacher, F. Smend Comput. Phys. Commun. 32(1984)413 |
| ADCP_v1_0 | RMATRX1 RMATRX1: Belfast atomic R-matrix codes. K.A. Berrington, W.B. Eissner, P.H. Norrington Comput. Phys. Commun. 92(1995)290 |
| ADGL_v1_0 | IMRDEC A program to determine the radiation spectra due to a single atomic- subshell ionisation by a particle or due to deexcitation or decay of radionuclides. J. Stepanek Comput. Phys. Commun. 106(1997)237 |
| ADGL_v1_0 | IMRDEC A program to determine the radiation spectra due to a single atomic- subshell ionisation by a particle or due to deexcitation or decay of radionuclides. J. Stepanek Comput. Phys. Commun. 106(1997)237 |
| ADIY_v1_0 | STRFLO STRFLO: a program for time-independent calculations of multiphoton processes in one-electron atomic systems. I. Quasienergy spectra and angular distributions. R.M. Potvliege Comput. Phys. Commun. 114(1998)42 |
| ADKO_v1_0 | fnodipol Procedures for the evaluation of atomic transition matrix elements in the interaction with laser light. L.B. Madsen, J.P. Hansen, H.M. Nilsen Comput. Phys. Commun. 120(1999)231 |
| ADPH_v1_0 | ScatterTomo version 1.1 Software for X-ray fluorescence and scattering tomographic reconstruction. A. Brunetti, B. Golosio Comput. Phys. Commun. 141(2001)412 |
| ADQV_v1_0 | BSPCI2E A package for the ab-initio calculation of one- and two-photon cross sections of two-electron atoms, using a CI B-splines method. L.A.A. Nikolopoulos Comput. Phys. Commun. 150(2003)140 |
| ADQY_v1_0 | DIFOFA An implementation of atomic form factors. C. Santamarina Rios, J.J. Saborido Silva Comput. Phys. Commun. 151(2003)79 |
| ADSX_v1_0 | BEACON A program to compute the two-step excitation of mesospheric sodium atoms for the Polychromatic Laser Guide Star Project. Véronique Bellanger, Arnaud Courcelle, Alain Petit Comput. Phys. Commun. 162(2004)143 |
| ADWY_v1_0 | BSR BSR: B-spline atomic R-matrix codes Oleg Zatsarinny Comput. Phys. Commun. 174(2006)273 |
| ADXB_v1_0 | QPROP Qprop: A Schrödinger-solver for intense laser-atom interaction Dieter Bauer, Peter Koval Comput. Phys. Commun. 174(2006)396 |
| AEAA_v1_0 | POTHMF POTHMF: A program for computing potential curves and matrix elements of the coupled adiabatic radial equations for a hydrogen-like atom in a homogeneous magnetic field O. Chuluunbaatar, A.A. Gusev, V.P. Gerdt, V.A. Rostovtsev, S.I. Vinitsky, A. G. Abrashkevich, M.S. Kaschiev, V.V. Serov Comput. Phys. Commun. 178(2008)301 |
| AEDM_v1_0 | ALTDSE ALTDSE: An Arnoldi-Lanczos program to solve the time-dependent Schrödinger equation Xiaoxu Guan, C.J. Noble, O. Zatsarinny, K. Bartschat, B.I. Schneider Comput. Phys. Commun. 180(2009)2401 |
| AEHR_v1_0 | msprop A Maxwell-Schrödinger solver for quantum optical few-level systems Robert Fleischhaker, Jörg Evers Comput. Phys. Commun. 182(2011)739 |
| AEKK_v1_0 | IONIS IONIS: Approximate atomic photoionization intensities Sami Heinäsmäki Comput. Phys. Commun. 183(2012)431 |
| 2.6 | Other Collision Processes |
| AACF_v1_0 | SCATTERING BY COMPLEX POTENTIAL The calculation of absorption and elastic cross sections using the optical potential. A.C. Allison Comput. Phys. Commun. 3(1972)173 |
| AAGO_v1_0 | SCAT A general program to study the scattering of particles by solving coupled inhomogeneous second-order differential equations. N. Chandra Comput. Phys. Commun. 5(1973)417 |
| AAOD_v1_0 | GAMOW FUNCTIONS GAMOW: a program for calculating the resonant state solution of the radial Schrodinger equation in an arbitrary optical potential. T. Vertse, K.F. Pal, Z. Balogh Comput. Phys. Commun. 27(1982)309 |
| ACRL_v1_0 | DCS Program for calculating differential and integral cross sections for quantum mechanical scattering problems for reactance or transition matrices. See erratum Comp. Phys. Commun. 7(1974)177. M.A. Brandt, D.G. Truhlar, R.L. Smith Comput. Phys. Commun. 5(1973)456 |
| ACRL_v1_0 | 0001 ACRL ADAPTED FOR IBM360/370 Program ACRL to calculate differential and integral cross sections adapted to run on IBM computers. M.A. Brandt, D.G. Truhlar, R.L. Smith Comput. Phys. Commun. 7(1974)172 |
| ACRL_v2_0 | DCS2 New version of program for calculating differential and integral cross sections for quantum mechanical scattering problems from reactance or transition matrices. K. Onda, D.G. Truhlar, M.A. Brandt Comput. Phys. Commun. 21(1980)97 |
| ADRB_v1_0 | SCRMTRX The evaluation of transition matrix elements for atomic excitations by a screened Coulomb potential. A. Orban, B. Sulik Comput. Phys. Commun. 151(2003)199 |
| AEBO_v1_0 | ASPIN ASPIN: An all spin scattering code for atom-molecule rovibrationally inelastic cross sections. D. López-Durán, E. Bodo, F. A. Gianturco Comput. Phys. Commun. 179(2008)821 |
| AEFV_v1_0 | MCEG Monte Carlo event generators in atomic collisions: a new tool to tackle the few-body dynamics M.F. Ciappina, T. Kirchner, M. Schulz Comput. Phys. Commun. 181(2010)813 |
| AEKX_v1_0 | RCE_H-like_1 Resonant Coherent Excitation of Hydrogen-like Ions Planar Channeled in a Crystal. Transition into the First Excited State A. Babaev, Yu. L. Pivovarov Comput. Phys. Commun. 183(2012)705 |
| AEMI_v1_0 | SymbMat SymbMat: Symbolic Computation of Quantum Transition Matrix Elements M.F. Ciappina, T. Kirchner Comput. Phys. Commun. 183(2012)1832 |
| AENP_v1_0 | DEPOSIT The DEPOSIT computer code: calculations of electron-loss cross sections for complex ions colliding with neutral atoms. Mikhail S. Litsarev Comput. Phys. Commun. 184(2013)432 |
| 2.7 | Wave Functions and Integrals |
| AACB_v1_0 | RKDP-RK INTEGRALS(DOUBLE PREC.) Hydrogenic Rk integrals. M.N. Lewis Comput. Phys. Commun. 1(1970)325 |
| AACB_v1_0 | 000A CORRECTION 24/06/70 Hydrogenic Rk integrals. (C.P.C. 1(1970)325). M.N. Lewis Comput. Phys. Commun. 1(1970)469 |
| AAGP_v1_0 | NETI Program for evaluation of non-exchange type integrals required in electron-atom scattering theory using Slater-type orbitals as basis functions. R.L. Smith, D.G. Truhlar Comput. Phys. Commun. 5(1973)80 |
| AAGP_v1_0 | 000ACORRECTION 19/07/74 Program for evaluation of non-exchange type integrals required in electron-atom scattering theory using Slater-type orbitals as basis functions. (C.P.C. 5(1973)80). R.L. Smith, D.G. Truhlar Comput. Phys. Commun. 8(1974)333 |
| AAGP_v1_0 | 0001 NETI/ETI Continuum exchange integrals for algebraic variational calculations of electron-atom scattering using Slater-type orbitals as basis functions. J. Abdallah Jr., D.G. Truhlar Comput. Phys. Commun. 9(1975)327 |
| AAGP_v2_0 | NETIX Program for evaluation of non-exchange type integrals required in electron-atom scattering theory using Slater-type orbitals as basis functions. R.L. Smith, D.G. Truhlar Comput. Phys. Commun. 5(1973)81 |
| AAGP_v2_0 | 000ACORRECTION 19/07/74 Program for evaluation of non-exchange type integrals required in electron-atom scattering theory using Slater-type orbitals as basis functions. (C.P.C. 5(1973)81). R.L. Smith, D.G. Truhlar Comput. Phys. Commun. 8(1974)333 |
| AAHE_v1_0 | A NEW VERSION OF BASFUN A general program to calculate atomic continuum processes using the R- matrix method. K.A. Berrington, P.G. Burke, J.J. Chang, A.T. Chivers, W.D. Robb, K.T. Taylor Comput. Phys. Commun. 8(1974)149 |
| AAKC_v1_0 | MAPPAC A program for atomic wavefunction computations by the parametric potential method. M. Klapisch Comput. Phys. Commun. 2(1971)239 |
| AAKL_v1_0 | SPINORBITWEIGHTS A general program to calculate the matrix of the spin-orbit interaction. W.-D. Klotz Comput. Phys. Commun. 9(1975)102 |
| AAKL_v1_0 | 000A CORRECTION 18/07/75 A general program to calculate the matrix of the spin-orbit interaction. (C.P.C. 9(1975)102). W.-D. Klotz Comput. Phys. Commun. 10(1975)70 |
| AAKL_v1_0 | 0001 WKAPPAKQ Reduced matrix elements of summations of one-particle tensor products. W.-D. Klotz Comput. Phys. Commun. 10(1975)56 |
| AAKL_v2_0 | SPINORBIT WEIGHTS 2 A new version of AAKL (the matrix elements of spin-orbit interaction) adapted to spectroscopic notation. K.M.S. Saxena Comput. Phys. Commun. 13(1977)193 |
| ABBN_v1_0 | R12 INTERACTION MATRIX ELEMENTS A Reduce package for exact Coulomb interaction matrix elements. N. Bogdanova, H. Hogreve Comput. Phys. Commun. 48(1988)319 |
| ABWA_v1_0 | HYDROGENIC INTERACTION INTEGRAL A program to calculate the radial parts of interaction matrix elements between two hydrogenic wave functions as power series. M.J. Jamieson Comput. Phys. Commun. 1(1970)437 |
| ABZQ_v1_0 | CMPT CMPT: a program giving the analytical result of Nordsieck's integral including powers of the radius from -1 to +6. J.C. Straton Comput. Phys. Commun. 66(1991)66 |
| ACCM_v1_0 | CLMINT Radial electric multipole matrix elements for inelastic collisions in atomic and nuclear physics. H.F. Arnoldus Comput. Phys. Commun. 32(1984)421 |
| ACDH_v1_0 | GREEN Integrals involved in the perturbation theory of a hydrogen-like system. I. J. Mlodzki, A. Lusakowski, M. Suffczynski Comput. Phys. Commun. 34(1984)199 |
| ACDI_v1_0 | GREEN2 Integrals involved in the perturbation theory of a hydrogen-like system. II. J. Mlodzki Comput. Phys. Commun. 34(1984)211 |
| ACQK_v1_0 | TWO ELECTRON WAVEFUNCTIONS Computation of wavefunctions for the helium isoelectronic sequence. H.O. Knox Comput. Phys. Commun. 1(1970)167 |
| ACQS_v1_0 | NUMERICAL ORBITAL FUNCTIONS A program to generate numerical orbital functions. W.D. Robb Comput. Phys. Commun. 1(1970)457 |
| ACRO_v1_0 | ATOMINT Atomic integral containing three odd powers of interelectronic separation coordinates. A.H. Moussa, H.M.A. Radi Comput. Phys. Commun. 6(1973)89 |
| ACYB_v1_0 | SLATER INTEGRALS Exact Slater integrals. L.B. Golden Comput. Phys. Commun. 14(1978)255 |
| ACYU_v1_0 | STP An integral package for one-centre integrals over Slater-Transform- Preuss functions. E. Yurtsever Comput. Phys. Commun. 16(1978)65 |
| ADAD_v1_0 | CRADINTEG Radial integrals in the Coulomb-Born approximation. K. Takagishi, M. Ohkura, S. Nakazaki Comput. Phys. Commun. 85(1995)293 |
| ADAX_v1_0 | Vij Automatic generation of analytical matrix elements for electron-atom scattering. E.J. Mansky, M.R. Flannery Comput. Phys. Commun. 88(1995)278 |
| ADKO_v1_0 | fnodipol Procedures for the evaluation of atomic transition matrix elements in the interaction with laser light. L.B. Madsen, J.P. Hansen, H.M. Nilsen Comput. Phys. Commun. 120(1999)231 |
| ADMW_v1_0 | MTRXCOUL A Fortran program to calculate the matrix elements of the Coulomb interaction involving hydrogenic wave functions. L. Sarkadi Comput. Phys. Commun. 133(2000)119 |
| ADOX_v1_0 | MTRDCOUL Calculation of the matrix elements of the Coulomb interaction involving relativistic hydrogenic wave functions. L. Lugosi, L. Sarkadi Comput. Phys. Commun. 141(2001)73 |
| ADPE_v1_0 | QDHartreeFock.nb v 1.0 Electronic structure calculation for N-electron quantum dots. S.A. McCarthy, J.B. Wang, P.C. Abbott Comput. Phys. Commun. 141(2001)175 |
| ADQE_v1_0 | CRIMPT2W Radial integrals in the Coulomb-Born approximation: multipole transitions. A. Ohsaki, A. Igarashi, T. Kai, S. Nakazaki Comput. Phys. Commun. 147(2002)826 |
| ADQY_v1_0 | DIFOFA An implementation of atomic form factors. C. Santamarina Rios, J.J. Saborido Silva Comput. Phys. Commun. 151(2003)79 |
| ADRJ_v1_0 | GREENS Relativistic wave and Green's functions for hydrogen-like ions. P. Koval, S. Fritzsche Comput. Phys. Commun. 152(2003)191 |
| ADUQ_v1_0 | DIRAC Algebraic tools for dealing with the atomic shell model. I. Wavefunctions and integrals for hydrogen-like ions. Andrey Surzhykov, Peter Koval, Stephan Fritzsche Comput. Phys. Commun. 165(2005)139 |
| ADVR_v1_0 | atmscf Atomic Self-Consistent-Field Program by the Basis Set Expansion Method: Columbus Version Russell M. Pitzer Comput. Phys. Commun. 170(2005)239 |
| ADVR_v2_0 | atmscf Changes to Atomic Self-Consistent-Field Program by the Basis Set Expansion Method: Columbus Version Russell M. Pitzer Comput. Phys. Commun. 183(2012)1841 |
| ADWM_v1_0 | Xgreens Relativistic central-field Green's functions for the RATIP package Peter Koval, Stephan Fritzsche Comput. Phys. Commun. 172(2005)187 |
| ADZN_v1_0 | GPODA Ground state of the time-independent Gross-Pitaevskii equation Claude M. Dion, Eric Cancès Comput. Phys. Commun. 177(2007)787 |
| AEAJ_v1_0 | edf EDF: Computing electron number probability distribution functions in real space from molecular wave functions. E. Francisco, A. Martín Pendás, M. A. Blanco Comput. Phys. Commun. 178(2008)621 |
| AEAQ_v1_0 | 3dsch/2dsch A fast and simple program for solving local Schrödinger equations in two and three dimensions S. Janecek, E. Krotscheck Comput. Phys. Commun. 178(2008)835 |
| AEAS_v1_0 | Dirac++ or (abbreviated) d++ FFT-split-operator code for solving the Dirac equation in 2+1 dimensions Guido R. Mocken, Christoph H. Keitel Comput. Phys. Commun. 178(2008)868 |
| AEEV_v1_0 | tripleint.cc 'tripleint.cc' : a program for 2-centre variational leptonic Coulomb potential matrix elements using Hylleraas-type trial functions, with a performance optimization study M. Plummer, E.A.G. Armour, A.C. Todd, C.P. Franklin, J.N. Cooper Comput. Phys. Commun. 180(2009)2410 |
| AEFK_v1_0 | TwoElAtom-S The two-electron atomic systems. S-states. Evgeny Z. Liverts, Nir Barnea Comput. Phys. Commun. 181(2010)206 |
| AEHD_v1_0 | HContinuumGautchi An accurate Fortran code for computing hydrogenic continuum wave functions at a wide range of parameters Liang-You Peng, Qihuang Gong Comput. Phys. Commun. 181(2010)2098 |
| AEHY_v1_0 | TwoElAtomSL(SH) S - states of helium-like ions Evgeny Z. Liverts, Nir Barnea Comput. Phys. Commun. 182(2011)1790 |
| AEHY_v2_0 | TwoElAtomSL(SH) S - states of helium-like ions Evgeny Z. Liverts, Nir Barnea Comput. Phys. Commun. 183(2012)844 |
| AELE_v1_0 | QnDynCUDA An object-oriented implementation of a solver of the time-dependent Schrödinger equation using the CUDA technology Tomasz Dziubak, Jacek Matulewski Comput. Phys. Commun. 183(2012)800 |
| AELQ_v1_0 | KKR algorithm Computer implementation of the Kerov-Kirillov-Reshethikin algorithm P. Jakubczyk, A. Wal, D. Jakubczyk, T. Lulek Comput. Phys. Commun. 183(2012)1354 |
| AEMW_v1_0 | seriesSolveOde1 High precision series solution of differential equations: Ordinary and regular singular point of second order ODEs. Amna Noreen, Kåre Olaussen Comput. Phys. Commun. 183(2012)2291 |
| AENT_v1_0 | GSGPEs GSGPEs: a MATLAB code for computing the ground state of systems of Gross-Pitaevskii equations Marco Caliari, Stefan Rainer Comput. Phys. Commun. 184(2013)812 |
| 2.8 | Exotic Atoms |
| AAMA_v1_0 | MUONIC ATOM CASCADE Muonic atom cascade program. V.R. Akylas, P. Vogel Comput. Phys. Commun. 15(1978)291 |
| ABNB_v1_0 | MUON Static and dynamic muonic-atom codes MUON and RURP. G.A. Rinker Comput. Phys. Commun. 16(1979)221 |
| ABNC_v1_0 | RURP Static and dynamic muonic-atom codes MUON and RURP. G.A. Rinker Comput. Phys. Commun. 16(1979)221 |
| 2.9 | Theoretical Methods |
| AAAL_v1_0 | MCBP-BREIT ANGULAR COEFFICIENTS MCBP: a program to calculate angular coefficients of the Breit interaction between electrons in the low energy limit. N. Beatham, I.P. Grant, B.J. McKenzie, N.C. Pyper Comput. Phys. Commun. 18(1979)245 |
| AABN_v1_0 | SU2DIMPH Model space dimensionalities for multiparticle fermion systems. J.P. Draayer, H.T. Valdes Comput. Phys. Commun. 36(1985)313 |
| ACBF_v1_0 | COEFANG1 A new program for calculating matrix elements in atomic structure. P.M. Lima Comput. Phys. Commun. 66(1991)99 |
| ACQL_v1_0 | WEIGHTS A general program for calculating angular momentum integrals in atomic structure. A. Hibbert Comput. Phys. Commun. 1(1970)359 |
| ACQL_v2_0 | WEIGHTS NEW VERSION A new version of a general program to calculate angular momentum integrals in atomic structure. A. Hibbert Comput. Phys. Commun. 2(1971)180 |
| ACQL_v2_0 | 000A CORRECTION 22/05/73 A new version of a general program to calculate angular momentum integrals in atomic structure. (C.P.C. 2(1971)180). A. Hibbert Comput. Phys. Commun. 6(1973)59 |
| ACQL_v2_0 | 0001ADAPT WEIGHTS FOR ONE PART Adaptation of a general program to calculate angular momentum integrals in atomic structure: inclusion of the one-electron part of the hamiltonian. A. Hibbert Comput. Phys. Commun. 7(1974)318 |
| ACQL_v2_0 | 0002ADAPT TO TEST CONFIG DATA Adaptation of a general program to calculate angular momentum integrals in atomic structure: inclusion of the checking of the configuration data. A. Hibbert Comput. Phys. Commun. 8(1974)329 |
| ACQL_v3_0 | WEIGHTS A MORE EFFICIENT VERSION A more efficient version of the WEIGHTS and NJSYM packages. N.S. Scott, A. Hibbert Comput. Phys. Commun. 28(1982)189 |
| ACRJ_v1_0 | MCP A general program to calculate angular momentum coefficients in relativistic atomic structure. See erratum Comp. Phys. Commun. 6(1973)98. I.P. Grant Comput. Phys. Commun. 5(1973)263 |
| ACRJ_v1_0 | 000A CORRECTION 10/06/76 Appendix to a program to calculate angular momentum coefficients in relativistic atomic structure - revised version. (C.P.C. 5(1973)263). I.P. Grant Comput. Phys. Commun. 11(1976)397 |
| ACRJ_v1_0 | 000B CORRECTION 2/02/77 A general program to calculate angular momentum coefficients in relativistic atomic structure. (C.P.C. 5(1973)263). I.P. Grant Comput. Phys. Commun. 13(1977)429 |
| ACWE_v1_0 | MCP75 A program to calculate angular momentum coefficients in relativistic atomic structure - revised version. I.P. Grant Comput. Phys. Commun. 11(1976)397 |
| ACWE_v1_0 | 000A CORRECTION 29/09/77 A program to calculate angular momentum coefficients in relativistic atomic structure - revised version. (C.P.C. 11(1976)397). I.P. Grant Comput. Phys. Commun. 14(1978)311 |
| ADBV_v1_0 | Chfs A program to compute the angular coefficients of the relativistic one- electron hyperfine structure parameters. S. Kroger, M. Kroger Comput. Phys. Commun. 90(1995)381 |
| ADBV_v1_0 | 000ACORRECTION 18/11/96 A program to compute the angular coefficients of the relativistic one- electron hyperfine structure parameters. (C.P.C. 90(1995)381). S. Kroger, M. Kroger Comput. Phys. Commun. 103(1997)97 |
| ADEF_v1_0 | MLM Numerical and symbolic calculation of the multipole matrix elements in the axial and triaxial harmonic oscillator basis. V. Martin, L.M. Robledo Comput. Phys. Commun. 99(1996)113 |
| ADFQ_v1_0 | Quantum trajectory class library A C++ library using quantum trajectories to solve quantum master equations. R. Schack, T.A. Brun Comput. Phys. Commun. 102(1997)210 |
| ADGF_v1_0 | FBS Solution of few-body problems with the stochastic variational method: I. Central forces. K. Varga, Y. Suzuki Comput. Phys. Commun. 106(1997)157 |
| ADWD_v1_0 | SELECTCONF A program of generation and selection of configurations for the configuration interaction method in atomic calculations SELECTCONF. P. Bogdanovich, R. Karpuskiene, A. Momkauskaite Comput. Phys. Commun. 172(2005)133 |
| ADXA_v1_0 | JAHN JAHN - A program for representing atomic and nuclear states within an isospin basis G. Gaigalas, S. Fritzsche, E. Gaidamauskas, G. Kirsanskas, T. Zalandauskas Comput. Phys. Commun. 175(2006)52 |
| ADXD_v1_0 | Hfs Hyperfine structure parametrization in Maple O. Scharf, S. Fritzsche, G. Gaigalas Comput. Phys. Commun. 174(2006)202 |
| AEDU_v1_0 | (i) imagetime1d, (ii) imagetime2d, (iii) imagetime3d, (iv) imagetimecir, (v) imagetimesph, (vi) imagetimeaxial, (vii) realtime1d, (viii) realtime2d, (ix) realtime3d, (x) realtimecir, (xi) realtimesph, (xii) realtimeaxial Fortran programs for the time-dependent Gross-Pitaevskii equation in a fully anisotropic trap P. Muruganandam, S.K. Adhikari Comput. Phys. Commun. 180(2009)1888 |
| AEDU_v2_0 | GP-SCL package, consisting of: (i) imagtime1d, (ii) imagtime2d, (iii) imagtime2d-th, (iv) imagtimecir, (v) imagtime3d, (vi) imagtime3d-th, (vii) imagtimeaxial, (viii) imagtimeaxial-th, (ix) imagtimesph, (x) realtime1d, (xi) realtime2d, (xii) realtime2d-th, (xiii) realtimecir, (xiv) realtime3d, (xv) realtime3d-th, (xvi) realtimeaxial, (xvii) realtimeaxial-th, (xviii) realtimesph C programs for solving the time-dependent Gross-Pitaevskii equation in a fully anisotropic trap Dusan Vudragović, Ivana Vidanović, Antun Balaz, Paulsamy Muruganandam, Sadhan K. Adhikari Comput. Phys. Commun. 183(2012)2021 |
| AEFK_v1_0 | TwoElAtom-S The two-electron atomic systems. S-states. Evgeny Z. Liverts, Nir Barnea Comput. Phys. Commun. 181(2010)206 |
| AEFR_v1_0 | DENSITY Multiconfiguration electron density function for the ATSP2K-package A. Borgoo, O. Scharf, G. Gaigalas, M. Godefroid Comput. Phys. Commun. 181(2010)426 |
| AEHY_v1_0 | TwoElAtomSL(SH) S - states of helium-like ions Evgeny Z. Liverts, Nir Barnea Comput. Phys. Commun. 182(2011)1790 |
| AEHY_v2_0 | TwoElAtomSL(SH) S - states of helium-like ions Evgeny Z. Liverts, Nir Barnea Comput. Phys. Commun. 183(2012)844 |
| AEJL_v1_0 | SNEG SNEG - Mathematica package for symbolic calculations with second-quantization-operator expressions Rok Zitko Comput. Phys. Commun. 182(2011)2259 |
| AEJY_v1_0 | raft C-library raft: reconstruction algorithms for tomography. Applications to X-ray Fluorescence Tomography Eduardo X. Miqueles, Alvaro R. De Pierro Comput. Phys. Commun. 182(2011)2661 |
| AELA_v1_0 | Strongdeco Strongdeco: Expansion of analytical, strongly correlated quantum states into a many-body basis Bruno Juliá-Díaz, Tobias Grass Comput. Phys. Commun. 183(2012)737 |
| AEMA_v1_0 | RATIP The RATIP program for relativistic calculations of atomic transition, ionization and recombination properties S. Fritzsche Comput. Phys. Commun. 183(2012)1525 |
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