Fast assembly of fock matrices utilising symmetry properties of the basis set
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.
| Main Authors: | , |
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| Format: | Article |
| Published: |
Elsevier
1973
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| Subjects: | |
| Online Access: | https://eprints.nottingham.ac.uk/168/ |