Title: A determinant based full configuration interaction program
Abstract: The program FCI solves the Full Configuration Interaction (Full CI) problem of quantum chemistry, in which the electronic Schrödinger equation is solved exactly within a given one particle basis set. The Slater determinant based algorithm leads to highly efficient implementation on a vector computer, and has enabled Full CI calculations of dimension more than 107 to be performed.
Publication Year: 1989
Publication Date: 1989-04-01
Language: en
Type: article
Indexed In: ['crossref']
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Cited By Count: 231
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