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Kinetic energy analysis of atomic multiplets
Author(s) -
Koga Toshikatsu,
Thakkar Ajit J.
Publication year - 1996
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/(sici)1097-461x(1996)57:1<89::aid-qua10>3.0.co;2-3
Subject(s) - kinetic energy , multiplet , atomic physics , energy (signal processing) , total energy , electron , chemistry , physics , quantum mechanics , spectral line , psychology , displacement (psychology) , psychotherapist
A kinetic energy analysis of total energy differences in 115 atomic multiplet states is presented. We show by numerical restricted Hartree—Fock calculations that there is a reasonably accurate linear relationship between the kinetic energy of the electrons in open subshells and the total energy within a manifold of states arising from the same sp n or s 2 p n ( n = 2,3,4) electron configuration in main‐group atoms. © 1996 John Wiley & Sons, Inc.