Programs in Physics & Physical Chemistry
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|Manuscript Title: A program to evaluate the reduced matrix elements of one particle tensor operators for the configurations in jj-coupling.|
|Authors: J.J. Chang|
|Program title: RDMEJJ|
|Catalogue identifier: AAAD_v1_0|
Distribution format: gz
|Journal reference: Comput. Phys. Commun. 7(1974)225|
|Programming language: Fortran.|
|Computer: ICL 1906A.|
|Operating system: GEORGE 4.|
|RAM: 20K words|
|Word size: 20|
|Keywords: General purpose, Rotation group, Transition, Electric multipole, Magnetic multipole.|
|AAGD_v1_0||0002 ADAPT TO INTEGER ARITHMETIC||CPC 5(1973)161|
|ACRI_v1_0||CFPJJ-CFP IN JJ-COUPLING||CPC 4(1972)377|
|ACYM_v1_0||ONE-PARTICLE OPS IN JJ-COUPLING||CPC 15(1978)387|
Nature of problem:
In relativistic atomic calculations and nuclear shell theory,many problems involve matrix elements of one-particle tensor operators,such as electric and magnetic multipole transitions. This program is designed to evaluate the angular part of these matrix elements between arbitary configurations in jj-coupling.
Configurations are defined by the number of electrons and the (nk) quantum numbers in each occupied shell and coupling intermediate angular momenta. The angular integral of the reduced matrix element is expressed in terms of recoupling coefficients and coefficients of fractional parentage.
The program assumes that both configurations are formed from the same orthonormal set of basis orbitals. The number of electrons in orbitals with j> 9/2 is restricted to be one or two by the available fractional parentage routines.
The time required for the test run is 71 s of ICL 1907, of which 7 s is taken in execution.
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