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The coupled‐cluster method in high sectors of the Fock space
Author(s) -
Hughes S. R.,
Kaldor Uzi
Publication year - 1995
Publication title -
international journal of quantum chemistry
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.484
H-Index - 105
eISSN - 1097-461X
pISSN - 0020-7608
DOI - 10.1002/qua.560550207
Subject(s) - fock space , atomic physics , coupled cluster , cluster (spacecraft) , ionization , excitation , ion , space (punctuation) , electron , open shell , physics , chemistry , quantum mechanics , molecule , computer science , programming language , operating system
The coupled‐cluster method is applied to high sectors of the Fock space (up to five electrons outside a closed shell). Ionization potentials and excitation energies are calculated for atomic N, O, F, P, and S and their ions. The effect of virtual triple excitations is included, exactly or at several levels of appoximation. These terms are important for accurate results in the high sectors. © 1995 John Wiley & Sons, Inc.
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