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: | , |
|---|---|
| Format: | Article |
| Published: |
Elsevier
1973
|
| Subjects: | |
| Online Access: | https://eprints.nottingham.ac.uk/168/ |
| _version_ | 1848790353976492032 |
|---|---|
| author | Brailsford, David F. Hylton, Jane |
| author_facet | Brailsford, David F. Hylton, Jane |
| author_sort | Brailsford, David F. |
| building | Nottingham Research Data Repository |
| collection | Online Access |
| description | 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. |
| first_indexed | 2025-11-14T18:11:16Z |
| format | Article |
| id | nottingham-168 |
| institution | University of Nottingham Malaysia Campus |
| institution_category | Local University |
| last_indexed | 2025-11-14T18:11:16Z |
| publishDate | 1973 |
| publisher | Elsevier |
| recordtype | eprints |
| repository_type | Digital Repository |
| spelling | nottingham-1682020-05-04T20:34:20Z https://eprints.nottingham.ac.uk/168/ Fast assembly of fock matrices utilising symmetry properties of the basis set Brailsford, David F. Hylton, Jane 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. Elsevier 1973-02 Article PeerReviewed 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. Fock matrices Self Consistent Field two-electron integrals |
| spellingShingle | Fock matrices Self Consistent Field two-electron integrals Brailsford, David F. Hylton, Jane Fast assembly of fock matrices utilising symmetry properties of the basis set |
| title | Fast assembly of fock matrices utilising symmetry properties of the basis set |
| title_full | Fast assembly of fock matrices utilising symmetry properties of the basis set |
| title_fullStr | Fast assembly of fock matrices utilising symmetry properties of the basis set |
| title_full_unstemmed | Fast assembly of fock matrices utilising symmetry properties of the basis set |
| title_short | Fast assembly of fock matrices utilising symmetry properties of the basis set |
| title_sort | fast assembly of fock matrices utilising symmetry properties of the basis set |
| topic | Fock matrices Self Consistent Field two-electron integrals |
| url | https://eprints.nottingham.ac.uk/168/ |