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Open‐ and closed‐shell states in few‐particle quantum mechanics. II. Classification of atomic states
Author(s) -
Smith Vedene H.,
Kutzelnigg Werner
Publication year - 1968
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.560020411
Subject(s) - open shell , wave function , limit (mathematics) , perturbation theory (quantum mechanics) , perturbation (astronomy) , quantum mechanics , physics , stability (learning theory) , mathematics , mathematical analysis , machine learning , computer science
Abstract The system developed in the first paper of this series for the classification of states as open‐ or closed‐shed type is applied to atomic states. These may be classified in the isoelectronic limit ( Z → ∞) from knowledge of the true wave function in this limit. One‐matrix occupation numbers are tabulated for a number of states of the first‐row atoms in the limit Z → ∞ and the states classified. A classification for finite Z is possible in the framework of the Z‐dependent perturbation theory by use of a thoerem for the stability of a closed‐shed with respect to small perturbations. Such a stability does not hold in general for open‐shel states.