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

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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
RIS ID:	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.
Keywords:	Fock matrices, Self Consistent Field, two-electron integrals
Schools/Departments:	University of Nottingham, UK > Faculty of Science > School of Computer Science University of Nottingham, UK > Faculty of Science > School of Mathematical Sciences University of Nottingham, UK > Faculty of Science > School of Chemistry
Depositing User:	Brailsford, Prof David
Date Deposited:	09 Aug 2005
Last Modified:	04 May 2020 20:34
URI:	https://eprints.nottingham.ac.uk/id/eprint/168

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