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Manuscript Title: Oscillator strengths from numerical MCHF radial functions. | ||

Authors: C.F. Fischer, K.M.S. Saxena | ||

Program title: GF VALUES | ||

Catalogue identifier: ACRZ_v1_0Distribution format: gz | ||

Journal reference: Comput. Phys. Commun. 9(1975)381 | ||

Programming language: Fortran. | ||

Computer: IBM S360/75. | ||

Operating system: HASP II. | ||

RAM: 134K words | ||

Word size: 8 | ||

Peripherals: disc. | ||

Keywords: Atomic physics, Structure, Oscillator strengths, Length and velocity form, Gf values, Atomic transitions. | ||

Classification: 2.1. | ||

Subprograms used: | ||

Cat
Id | Title | Reference |

ACRF_v1_0 | MCHF72 | CPC 4(1972)107 |

AAKP_v1_0 | REDUCED TENSOR MATRIX ELEMENTS2 | CPC 9(1975)370 |

ACQB_v1_0 | P SHELL C.F.P. | CPC 1(1969)15 |

ACQC_v2_0 | A NEW D SHELL C.F.P. | CPC 6(1973)88 |

AAGD_v2_0 | A NEW VERSION OF NJSYM | CPC 8(1974)151 |

Revision history: | ||

Type | Tit
le | Reference |

adaptation | 0001 QUADRUPOLE TRANSITIONS | See below |

correction | A00ACORRECTION TO 0001 01/03/79 | See below |

correction | A00BCORRECTION TO 0001 26/02/86 | See below |

Nature of problem:The program computes gf values for transitions using results from MCHf72 to define the initial and final states. A modified version of Robb's TENSOR program provides some additional input data for the calculation. Both length and velocity forms are computed. | ||

Solution method:Since the radial functions are given in tabular form, all integrals are evaluated numerically. Simpson's rule is used for the transition integral of the length form, but a special formula was derived for the velocity form, so that the numerical procedure would preserve the symmetry property of the integral. | ||

Restrictions:The dimensions of the program allow up to 50 radial functions in the initial and/or final state combined, and up to 30 configurations in each of the initial and final states. These can readily be changed. | ||

Running time:The CPU time required for the two sets of calculations mentioned in the test run was 1.8 s on the IBM System 360/75. | ||

ADAPTATION SUMMARY | ||

Manuscript Title: An adaptation of ACRZ to calculate electric quadrupole oscillator
strengths. | ||

Authors: M. Godefroid | ||

Program title: 0001 QUADRUPOLE TRANSITIONS | ||

Catalogue identifier: ACRZ_v1_0Distribution format: gz | ||

Journal reference: Comput. Phys. Commun. 15(1978)275 | ||

Programming language: Fortran. | ||

Computer: CDC 6600. | ||

Operating system: NOS 1.0. | ||

RAM: 45K words | ||

Word size: 60 | ||

Classification: 2.1. | ||

Subprograms used: | ||

Cat
Id | Title | Reference |

ACRF_v1_0 | MCHF72 | CPC 4(1972)107 |

AAKP_v1_0 | REDUCED TENSOR MATRIX ELEMENTS 2 | CPC 9(1975)370 |

ACQB_v1_0 | P SHELL C.F.P. | CPC 1(1969)15 |

ACRN_v1_0 | A NEW D SHELL C.F.P. | CPC 6(1973)88 |

AAHD_v1_0 | A NEW VERSION OF NJSYM | CPC 8(1974)151 |

Nature of problem:The adaptation allows the calculation of quadrupole electric oscillator strengths using results from MCHF72. The program REDUCED TENSOR MATRIX ELEMENTS 2 oF C. Froese Fischer and K.M.S. Saxena provides some additional input data for the calculation (the addition of 2 cards to this program allows the order chi of the tensor to be punched out). The first two forms of the hypervirial theorem are computed. | ||

Solution method:The radial functions are given in tabular form and the integrals are evaluated numerically. Simpson's rule is used for the first form of the hypervirial theorem as in the dipole case x=1 and we have applied the special formula already derived for the velocity form of the dipole operator to the quadrupole operator. | ||

Restrictions:The restrictions concerning the dimensions of the arrays and the inclusion of maximum three overlap integrals (appearing due to the non-orthogonality between the orbitals of initial and final states) are the same as those in the original program. | ||

Running time:The CPU time required for the calculations of the test run is 1.88 s on the CDC 6600 system. | ||

CORRECTION SUMMARY | ||

Manuscript Title: An adaptation of ACRZ to calculate electric quadrupole oscillator
strengths. (C.P.C. 15(1978)275). | ||

Authors: M. Godefroid | ||

Program title: A00ACORRECTION TO 0001 01/03/79 | ||

Catalogue identifier: ACRZ_v1_0Distribution format: gz | ||

Journal reference: Comput. Phys. Commun. 17(1979)426 | ||

Classification: 2.1. | ||

CORRECTION SUMMARY | ||

Manuscript Title: An adaptation of ACRZ to calculate electric quadrupole oscillator
strengths. (C.P.C. 15(1978)275). | ||

Authors: M. Godefroid | ||

Program title: A00BCORRECTION TO 0001 26/02/86 | ||

Catalogue identifier: ACRZ_v1_0Distribution format: gz | ||

Journal reference: Comput. Phys. Commun. 41(1986)195 | ||

Classification: 2.1. |

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