Programs in Physics & Physical Chemistry
|[Licence| Download | New Version Template] adad_v1_0.gz(20 Kbytes)|
|Manuscript Title: Radial integrals in the Coulomb-Born approximation.|
|Authors: K. Takagishi, M. Ohkura, S. Nakazaki|
|Program title: CRADINTEG|
|Catalogue identifier: ADAD_v1_0|
Distribution format: gz
|Journal reference: Comput. Phys. Commun. 85(1995)293|
|Programming language: Fortran.|
|Computer: FUJITSU M/1600/6.|
|Operating system: OS IV/MSP.|
|Word size: 32|
|Keywords: Atomic physics, Integral, Radial integral, Coulomb wave, Electron-ion, Ion, Excitation, Cross section.|
Nature of problem:
This program calculates radial integrals in the Coulomb-Born calculation of the excitation of positive ions by electron impact. The integral is defined as an integral of the multipolar interaction over the initial and final Coulomb scattering functions.
The radial integrals for the monopole and the dipole excitations are evaluated on the basis of an analytical form derived in . The form is expressed in terms of the Gauss hypergeometric functions, which are numerically obtained.
The radial integrals are obtained only for the monopole and dipole cases. A maximum number of 10 Slater orbitals and a maximum number of 100 total angular momenta are allowed. More orbitals and more angular momenta can be included by recompiling the program with larger dimensions, which can be redefined through the parameter statement.
The running time depends on: the number of terms in each orbital; the number of orbitals; total angular momentum; incident energy. The test run I took 0.4 seconds, II took 2.5 and III took 1.7 seconds of execution time on the FUJITSU M1600/6.
|||S. Nakazaki, J. Phys. Soc. Japan 45(1978)225.|
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