Complex wavefunctions and the conservation of total momentum in the Hartree-Fock theory
✍ Scribed by Erkki Brändas
- Publisher
- Elsevier Science
- Year
- 1968
- Tongue
- English
- Weight
- 605 KB
- Volume
- 27
- Category
- Article
- ISSN
- 0022-2852
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📜 SIMILAR VOLUMES
Vibrational averaging effects on electron momentum distributions in the valence shell of H,O are calculated employing Hartree-Fock-limit electronic wavefunctions and an accurate empirical ground-state potential energy surface. The effects arc generally small, lending support to the widespread practi
We proposed a complete calculation scheme for attributing the total Ž . energy by the Hartree᎐Fock theory to atoms E and the region between two atoms A Ž . E . It was pointed out that the conventional method using the Fock matrix includes a A B large amount of mutual contamination in both E and E .
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.