The application of a simple relationship between atomic orbital integrals and symmetry orbital integrals is described in connection with traditional uses of symmetry. The simple modifications for impIementation in the POLYATOM molecular self-consistent-field programs arc given and discussed. Example
β¦ LIBER β¦
An algorithm for the construction of fully symmetry adapted Fock matrices for molecular Hartree-Fock calculations
β Scribed by P.S. Bagus; U.I. Wahlgren
- Publisher
- Elsevier Science
- Year
- 1977
- Tongue
- English
- Weight
- 822 KB
- Volume
- 1
- Category
- Article
- ISSN
- 0097-8485
No coin nor oath required. For personal study only.
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