Generator coordinate Hartree-Fock calculations were performed for the fourteen-electron diatomic molecules Nz, CO and BF. The ground state HF energy and multipole electric moments were calculated. The Grifftn-Wheeler HF equations were solved by discretization with the aid of the HONDO program. The G
Constrained Hartree-Fock calculations for a quadrupole generator coordinate
✍ Scribed by B. Giraud; J. Le Tourneux; S.K.M. Wong
- Book ID
- 113334816
- Publisher
- Elsevier Science
- Year
- 1970
- Tongue
- English
- Weight
- 219 KB
- Volume
- 32
- Category
- Article
- ISSN
- 0370-2693
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📜 SIMILAR VOLUMES
## Abstract The generator coordinate method was implemented in the unrestricted Hartree‐Fock formalism. Weight functions were built from Gaussian generator functions for 1s, 2s, and 2p orbitals of carbon and oxygen atoms. These weight functions show a similar behavior to those found in the generato
Well known results of the strong coupling theory of the polaron are derived by simple variational methods (The Hartree-Fock and the Generator Coordinate Methods) based on coherent-state-wave-functions describing the electron surrounded by a phonon cloud.