Elsevier Science Home
Computer Physics Communications Program Library
Full text online from Science Direct
Programs in Physics & Physical Chemistry
CPC Home

[Licence| Download | New Version Template] acba_v1_0.gz(20 Kbytes)
Manuscript Title: A program for performing angular integrations for transition operators.
Authors: C.F. Fischer, M.R. Godefroid, A. Hibbert
Program title: MCHF_MLTPOL
Catalogue identifier: ACBA_v1_0
Distribution format: gz
Journal reference: Comput. Phys. Commun. 64(1991)486
Programming language: Fortran.
Computer: VAX 11/780.
Operating system: VMS, Sun UNIX.
RAM: 100K words
Word size: 32
Peripherals: disc.
Keywords: Atomic physics, Structure, Transition operators, Electric multipole, Magnetic multipole, Allowed transitions, Forbidden transitions.
Classification: 2.1.

Subprograms used:
Cat Id Title Reference
ABZU_v1_0 MCHF_LIBRARIES CPC 64(1991)399

Nature of problem:
This program is part of the MCHF atomic structure package [1] for bound state systems and performs the angular integrations for electric E1, E2, ..., Elambda and/or magnetic M1, M2,..., Mlambda transition operators.

Solution method:
Given configuration state lists for the initial and final atomic states, the program performs angular integrations between all pairs of configuration states, one from the list for the initial state and one from the final state.

Restrictions:
The dimensions of the problem are such that the sum of the number of configuration states in the initial and final state cannot exceed 400 and the number of radial functions cannot exceed 60. At most two overlap integrals may multiply a radial integral derived from a transition operator.

Unusual features:
The program allows for a limited degree of non-orthogonality between the orbitals of the initial and final state. The common core orbitals are assumed to be the same in both states.

Running time:
The CPU time required for the test run is 0.6 seconds for the first case and 131.7 seconds for the second on a SUN 3/160 with a floating point board.

References:
[1] C. Froese Fischer, Computer Phys. Commun. 64(1991)369.