10.17632/5y7gm46wdn.1
S. Fritzsche
J. Anton
CESD99 – A new version to represent atomic wave functions in a determinant basis
2019
Mirror of Mendeley Data
Atomic Physics
Computational Physics
2019-12-06 07:40:27
article
https://mendeley.figshare.com/articles/dataset/CESD99_A_new_version_to_represent_atomic_wave_functions_in_a_determinant_basis/11334248
Abstract
Determinant expansions of atomic wave functions have several advantages for calculating transition probabilities and cross sections. For instance, such a representation can easily be applied to rather a large number of transition operators and also in order to include rearrangement effects of the bound-state density following the excitation or the decay of an atomic state. In practice, the rearrangement of the electron density is most simply taken into account if the variation of the initial ...
Title of program: CESD99
Catalogue Id: ADCB_v3_0 [ADLG]
Nature of problem
The atomic state functions (ASF) of the structure program GRASP92 [4] are expanded into a determinant basis.
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)