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General spin adaptation of open-shell coupled cluster theory

✍ Scribed by Nooijen, Marcel; Bartlett, Rodney J.

Book ID
115456180
Publisher
American Institute of Physics
Year
1996
Tongue
English
Weight
524 KB
Volume
104
Category
Article
ISSN
0021-9606

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πŸ“œ SIMILAR VOLUMES

Three-electron excitation in open-shell
Three-electron excitation in open-shell coupled-cluster theory
✍ Azizul Haque; Uzi Kaldor πŸ“‚ Article πŸ“… 1985 πŸ› Elsevier Science 🌐 English βš– 335 KB

The three-electron excitation operator TJ is included approximalely in the coupled-cluster method with single and double excilalions for open shells (CCSD). The resulting CCSD +T scheme incorporales all energy diagrams up to and including third order in the perturbation. All ten valence-shell energy