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:Faculty of Science > School of Computer Science
Faculty of Science > School of Chemistry > Department of Physical Chemistry
Faculty of Science > School of Mathematical Sciences
ID Code:168
Deposited By:Brailsford, David
Deposited On:09 Aug 2005
Last Modified:22 Jun 2011 08:31

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