A determinant based full configuration interaction program

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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 10^7 to be performed. Title of program: FCI Catalogue Id: ABHV_v1_0 Nature of problem Benchmark calculations for quantum chemistry. Versions of this program held in the CPC repository in Mendeley Data ABHV_v1_0; FCI; 10.1016/0010-4655(89)90033-7 This program has been imported from the CPC Program Library held at Queen's University Belfast (1969-2019)

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