A program for the complete expansion of jj-coupled symmetry functions into Slater determinants

2019-12-06T07:40:30Z (GMT) by S. Fritzsche I.P. Grant
Abstract Different applications of atomic structure theory favour different representations of the many-electron wave function. For an estimate of energy levels it is appropriate to start from symmetry adapted functions which keep the size of the Hamiltonian matrix to be diagonalized small. In the calculation of transition properties, on the other hand, the electron rearrangement during an atomic excitation or decay process can be effectively treated, if the wave functions are represented as linear co... Title of program: CESD Catalogue Id: ADCB_v1_0 Nature of problem The jj-coupled symmetry functions, which are used in the atomic structure program GRASP, are expanded into Slater determinants. Versions of this program held in the CPC repository in Mendeley Data ADCB_v1_0; CESD; 10.1016/0010-4655(95)00088-W ADCB_v2_0; CESD97; 10.1016/S0010-4655(97)00035-0 ADCB_v3_0; CESD99; 10.1016/S0010-4655(99)00455-5 This program has been imported from the CPC Program Library held at Queen's University Belfast (1969-2019)