ATOMIC SHELL STRUCTURE AND ELECTRON NUMBERS

Authors
KOHOUT M SAVIN A
Citation
M. Kohout et A. Savin, ATOMIC SHELL STRUCTURE AND ELECTRON NUMBERS, International journal of quantum chemistry, 60(4), 1996, pp. 875-882
Citations number
20
Categorie Soggetti
Chemistry Physical
Journal title
International journal of quantum chemistry → ACNP
ISSN journal
00207608
Volume
60
Issue
4
Year of publication
1996
Pages
875 - 882
Database
ISI
SICI code
0020-7608(1996)60:4<875:ASSAEN>2.0.ZU;2-F
Abstract
The electron localization function (ELF) was calculated for the atoms Li to Sr. The ELF maxima reveal the atomic shell structure for all the se atoms. The shells are separated from each other by ELF minima. The integration of the electron density in a shell gives electron numbers. For the valence shell those are in good agreement with the ones expec ted from the Periodic Table of Elements. (C) 1996 John Wiley & Sons, I nc.