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Intermediate Hamiltonian Fock-space multireference coupled-cluster method with full triples for calculation of excitation energies

✍ Scribed by Musial, Monika; Bartlett, Rodney J.


Book ID
120412321
Publisher
American Institute of Physics
Year
2008
Tongue
English
Weight
658 KB
Volume
129
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