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Configuration interaction calculations of the valence and the inner valence levels of the CS molecule
Author(s) -
Müller Jiri
Publication year - 1982
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.560210210
Subject(s) - valence (chemistry) , molecule , chemistry , atomic physics , molecular physics , physics , organic chemistry
CI calculations were performed on the energies and relative intensities of the outer and inner valence levels of the CS molecule. Breakdown of the one‐particle model is discussed in terms of CI, and the results are compared with the analogous investigations using the Green's function technique.