Variational configuration interaction methods and comparison with perturbation theory
โ Scribed by J. A. Pople; R. Seeger; R. Krishnan
- Publisher
- John Wiley and Sons
- Year
- 2009
- Tongue
- English
- Weight
- 644 KB
- Volume
- 12
- Category
- Article
- ISSN
- 0020-7608
No coin nor oath required. For personal study only.
๐ SIMILAR VOLUMES
Stone's formula, which has usually been applied to the calculation of the g-matrix, is based on a single-configuration treatment. Here a limited configuration interaction is included to obtain the expressions of the principal g values for an orbitally nondegenerate molecule with spin S โซุโฌ 1 2 .
Reccwcd 7 Scpwmbcr 1981 hl.my-body Raylc@-Schrodmgcr pcrturbat~on theon m the rcstnctcd MO iormdlsm through thwd order and contiguratron mtcrxllon covc~g alI smgl~ and doubly cwttcd states were apphcd to the lo\hest tnplet ztxes oi the mcthylene and oxygen molecules The corrclat~on cncrpo g\en b) th