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A coupled cluster approach with triple excitations

✍ Scribed by Lee, Yoon S.; Kucharski, Stanislaw A.; Bartlett, Rodney J.


Book ID
127131043
Publisher
American Institute of Physics
Year
1984
Tongue
English
Weight
658 KB
Volume
81
Category
Article
ISSN
0021-9606

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πŸ“œ SIMILAR VOLUMES


Multi-reference coupled-cluster methods
✍ Sourav Pal; Magnus Rittby; Rodney J. Bartlett πŸ“‚ Article πŸ“… 1989 πŸ› Elsevier Science 🌐 English βš– 570 KB

An extension of multi-reference coupled-cluster (MRCC) methods to include some effects of triple excitations for the direct calculation of ionization potentials is presented. A series of non-iterative methods are proposed, derived in analogy to the successful non-iterative inclusions of triple excit