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Fast assembly of fock matrices utilising symmetry properties of the basis set

By David F. Brailsford and Jane Hylton

Abstract

A method of assembling the elements of the Fock matrix is described which is a modification of that due to Dacre. Lists of symmetry equivalent one-electron integrals are used as pointers to abbreviate the process of collecting two-electron integrals into the Fock matrix

Publisher: Elsevier
Year: 1973
OAI identifier: oai:eprints.nottingham.ac.uk:168
Provided by: Nottingham ePrints

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