Determination of interacting configurations
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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)
创建时间：
2019-12-22
