REOS — A program for relaxed-orbital oscillator strength calculations

Published: 1 January 1997| Version 1 | DOI: 10.17632/xbyxg89n9p.1
S. Fritzsche, C.Froese Fischer


Abstract A spontaneous decay of an excited atomic state leads to a rearrangement of the spatial electron distribution in the atom. This redistribution concerns the entire electronic cloud and not only the active electron in an atomic transition. For many-electron atoms, rearrangement effects are naturally included if the electronic wavefunctions of the initial and final states are determined independently. The separate optimization of the atomic states, however, yields two sets of one-electron orbital... Title of program: REOS Catalogue Id: ADEJ_v1_0 Nature of problem The separate optimization of a wave function for an atomic state results in a set of electron orbitals which are not quite orthogonal to the orbitals obtained for a different state. In atomic transitions, this incomplete orthogonality reflects the rearrangement of the electron distribution. The REOS program accounts for incomplete orthogonal initial and final states in the calculation of Einstein coefficients, oscillator strengths and radiative lifetimes using relativistic wavefunctions from the ... Versions of this program held in the CPC repository in Mendeley Data ADEJ_v1_0; REOS; 10.1016/S0010-4655(96)00116-6 ADEJ_v2_0; REOS99; 10.1016/S0010-4655(99)00453-1 This program has been imported from the CPC Program Library held at Queen's University Belfast (1969-2018)



Atomic Physics, Computational Physics