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New coupled-cluster methods with singles, doubles, and noniterative triples for high accuracy calculations of excited electronic states

✍ Scribed by Kowalski, Karol; Piecuch, Piotr


Book ID
121796315
Publisher
American Institute of Physics
Year
2004
Tongue
English
Weight
495 KB
Volume
120
Category
Article
ISSN
0021-9606

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The coupled-cluster method with full inc
✍ S.R. Hughes; Uzi Kaldor πŸ“‚ Article πŸ“… 1993 πŸ› Elsevier Science 🌐 English βš– 370 KB

The coupled-cluster method with singte, double and triple excitations (CCSDT or SUB3) is applied to a system with up to six electrons outside a closed shell. The Ne atom and its ions serve as a test case. Starting from Ne\*+, electrons are added one at a time ah the way to Ne. Ionization potentials