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Comparison of MBPT and coupled-cluster methods with full CI. Importance of triplet excitation and infinite summations

โœ Scribed by Rodney J. Barlett; Hideo Sekino; George D. Purvis III

Publisher
Elsevier Science
Year
1983
Tongue
English
Weight
733 KB
Volume
98
Category
Article
ISSN
0009-2614

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๐Ÿ“œ SIMILAR VOLUMES

The coupled-cluster method with full inc
The coupled-cluster method with full inclusion of single, double and triple excitations applied to high sectors of the Fock space
โœ S.R. Hughes; Uzi Kaldor ๐Ÿ“‚ Article ๐Ÿ“… 1993 ๐Ÿ› Elsevier Science ๐ŸŒ English โš– 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