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Occupation numbers for atomic shells in direct space bounded by the maxima of the one‐electron potential
Author(s) -
Kohout M.
Publication year - 2001
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.1071
Subject(s) - maxima , bounded function , nabla symbol , atomic orbital , electron , space (punctuation) , atomic number , physics , function (biology) , atomic physics , electron density , mathematical physics , quantum mechanics , combinatorics , chemistry , condensed matter physics , mathematics , mathematical analysis , performance art , art history , art , linguistics , philosophy , evolutionary biology , omega , biology
Atomic shells defined as wells of the one‐electron potential \documentclass{article}\pagestyle{empty}\begin{document}$\nabla^{2}\sqrt{\rho}/2\sqrt{\rho}$\end{document} bounded by successive maxima of this electron density function give reasonable electron numbers for the occupation of shells with empty d orbitals. © 2001 John Wiley & Sons, Inc. Int J Quant Chem 83: 324–331, 2001
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