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
Comparison of high-order many-body perturbation theory and configuration interaction for H2O
โ Scribed by Rodney J. Bartlett; Isaiah Shavitt
- Publisher
- Elsevier Science
- Year
- 1977
- Tongue
- English
- Weight
- 850 KB
- Volume
- 50
- Category
- Article
- ISSN
- 0009-2614
No coin nor oath required. For personal study only.
๐ SIMILAR VOLUMES
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A zero-order wave function of a dimer is defined as the antisymmetrized product of monomer HartreeแFock wave functions. A symmetry-adapted many-body perturbation theory is developed up to the third order to obtain interaction energies at the HartreeแFock level. Correlation effects are accounted for
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