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

Brailsford, David F. and Hylton, Jane (1973) Fast assembly of fock matrices utilising symmetry properties of the basis set. Chemical Physics Letters, 18 (4). pp. 595-597.

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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.

Item Type: Article
Additional Information: This PDF is a totally re-built and re-typeset "final draft" version of the original paper.
Uncontrolled Keywords: Fock matrices, Self Consistent Field, two-electron integrals
Schools/Departments: University of Nottingham UK Campus > Faculty of Science > School of Computer Science
University of Nottingham UK Campus > Faculty of Science > School of Mathematical Sciences
University of Nottingham UK Campus > Faculty of Science > School of Chemistry
Depositing User: Brailsford, Prof David
Date Deposited: 09 Aug 2005
Last Modified: 26 Aug 2014 17:07
URI: http://eprints.nottingham.ac.uk/id/eprint/168

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