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

Brailsford, David F.; Hylton, Jane

Authors

David F. Brailsford

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.

Citation

Brailsford, D. F., & Hylton, J. (1973). Fast assembly of fock matrices utilising symmetry properties of the basis set. Chemical Physics Letters, 18(4),

Journal Article Type Article
Publication Date Feb 1, 1973
Deposit Date Aug 9, 2005
Publicly Available Date Oct 9, 2007
Journal Chemical Physics Letters
Print ISSN 0009-2614
Publisher Elsevier
Peer Reviewed Peer Reviewed
Volume 18
Issue 4
Keywords Fock matrices, Self Consistent Field, two-electron integrals
Public URL http://eprints.nottingham.ac.uk/id/eprint/168
Copyright Statement Copyright information regarding this work can be found at the following address: http://eprints.nottingham.ac.uk/end_user_agreement.pdf
Additional Information This PDF is a totally re-built and re-typeset "final draft" version of the original paper.

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Copyright Statement
Copyright information regarding this work can be found at the following address: http://eprints.nottingham.ac.uk/end_user_agreement.pdf





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