A configuration interaction program

Published: 1 January 1991| Version 1 | DOI: 10.17632/pswhtczjpx.1
Charlotte Froese Fischer


Abstract Given expressions for the evaluation of an interaction matrix, either in the non-relativistic LS formalism or the Breit-Pauli LSJ formalism, the MCHF_CI program determines some or all the eigenvalues and associated eigenvectors of the matrix. In the case of a relativistic calculation, the program will determine eigenvalues and eigenvectors for a range of J values. The mass correction may also be included in the evaluation of the interaction matrix. Title of program: MCHF_CI Catalogue Id: ABZZ_v1_0 Nature of problem This program is part of the MCHF atomic structure package [1] for bound state systems and computes energy levels in either the LS or LSJ scheme. A number of effects may be included. Versions of this program held in the CPC repository in Mendeley Data ABZZ_v1_0; MCHF_CI; 10.1016/0010-4655(91)90139-C This program has been imported from the CPC Program Library held at Queen's University Belfast (1969-2018)



Atomic Physics, Computational Physics