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

Brailsford, David F.; Hylton, Jane

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), https://doi.org/10.1016/0009-2614%2873%2980475-0

• 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
• Electronic ISSN: 0009-2614
• Publisher: Elsevier
• Peer Reviewed: Peer Reviewed
• Volume: 18
• Issue: 4
• DOI: https://doi.org/10.1016/0009-2614%2873%2980475-0
• Keywords: Fock matrices, Self Consistent Field, two-electron integrals
• Public URL: https://nottingham-repository.worktribe.com/output/1025797
• Additional Information: This PDF is a totally re-built and re-typeset "final draft" version of the original paper.