2026-10-15T09:47:49Z https://data.mendeley.com/oai

oai:data.mendeley.com/yz5jgp2b94.1 2007-04-15T11:00:00Z

CPC, Mendeley An MCHF atomic-structure package for large-scale calculations Elsevier Data Repository Abstract An MCHF atomic-structure package is presented based on dynamic memory allocation, sparse matrix methods, and a recently developed angular library. It is meant for large-scale calculations in a basis of orthogonal orbitals for groups of LS terms of arbitrary parity. For Breit-Pauli calculations, all operators-spin-orbit, spin-other orbit, spin-spin, and orbit-orbit-may be included. For transition probabilities the orbitals of the initial and final state need not be orthogonal. A bi-orthogonal ... Title of program: ATSP2K Catalogue Id: ADLY_v2_0 Nature of problem This program determines energy levels and associated wave functions for states of atoms and ions in the MCHF (LS) or Breit-Pauli (LSJ) approximation. Given the wave function, various atomic properties can be computed such as electric (Ek) and magnetic (Mk) multipole radiative transition probabilities (k max =10) between LS or LSJ states, isotope shift constants, hyperfine parameters, and gJ factors. Versions of this program held in the CPC repository in Mendeley Data ADLY_v1_0; ATSP_MCHF version 1.00; 10.1016/S0010-4655(00)00009-6 ADLY_v2_0; ATSP2K; 10.1016/j.cpc.2007.01.006 This program has been imported from the CPC Program Library held at Queen's University Belfast (1969-2019) Atomic Physics Computational Physics Froese Fischer, Charlotte Tachiev, Georgio Gaigalas, Gediminas Godefroid, Michel R. Dataset doi:10.17632/yz5jgp2b94.1 oai:data.mendeley.com/yz5jgp2b94.1 Computer Physics Communications Journal Licence https://www.elsevier.com/about/policies/open-access-licenses/elsevier-user-license/cpc-license/ https://elsevier.digitalcommonsdata.com/datasets/yz5jgp2b94 2007-04-15T11:00:00Z