A program for generating complete active spaces for relativistic atomic structure calculations

Abstract
Let J be the total angular momentum quantum number of an N-electron system; let P be the system's parity quantum number; let {nlj}, or equivalently {nk}, be an ordered set of subshells. The corresponding complete active space (CAS) is the set of configuration symmetry functions, {|γJ^P 〉}, generated from all permissible occupations and couplings that yield the required total angular momentum and parity. We present a program that generates CASs in jj coupling.

Title of program: JJCAS
Catalogue Id: ACNG_v1_0

Nature of problem
Generation of complete active spaces [1,2] in the jj-coupling scheme for models of atomic electronic structure.

Versions of this program held in the CPC repository in Mendeley Data
ACNG_v1_0; JJCAS; 10.1016/0010-4655(93)90126-W

This program has been imported from the CPC Program Library held at Queen's University Belfast (1969-2019)