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A new diagnostic for open-shell coupled-cluster theory

✍ Scribed by Matthew L. Leininger; Ida M.B. Nielsen; T.Daniel Crawford; Curtis L. Janssen

Book ID
108312051
Publisher
Elsevier Science
Year
2000
Tongue
English
Weight
112 KB
Volume
328
Category
Article
ISSN
0009-2614

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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

Coupled-cluster approach for open-shell
Coupled-cluster approach for open-shell systems
✍ Vladimir Kvasnička πŸ“‚ Article πŸ“… 1981 πŸ› Elsevier Science 🌐 English βš– 303 KB

The coupled-cluster approach IS generaked for open-shell systems, resultmg m a model InteractIon of hermltenn form. This theory represents a recurwe method for the simultaneous construction and evaluation of all posnble dlagrammatlc terms appearmg In a pertment many-body perturbntlon formahsm The co