Determination of interacting configurations

Published: 01-01-1984| Version 1 | DOI: 10.17632/w4rkknjkvk.1
Contributor:
Detlef Ridder

Description

Title of program: INTERACTING CONFIGURATIONS Catalogue Id: ACFZ_v1_0 Nature of problem Within the framework of Hartree-Fock theory, the atomic structure of states with few electrons (or equivalently few vacancies) in addition to closed shells is best described by a 'mixture' of configurations. The corresponding wavefunction is then constructed as a superposition of coupled configuration state functions involving orbital functions from a given basis set. The purpose of this program is to select the corresponding configurations that may interact with a given reference configuration. ... Versions of this program held in the CPC repository in Mendeley Data ACFZ_v1_0; INTERACTING CONFIGURATIONS; 10.1016/0010-4655(84)90026-2 This program has been imported from the CPC Program Library held at Queen's University Belfast (1969-2019)

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