Premium
Atomic shell structure and electron numbers
Author(s) -
Kohout M.,
Savin A.
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)60:4<875::aid-qua10>3.0.co;2-4
Subject(s) - electron , atomic physics , shell (structure) , electron shell , physics , atomic theory , molecular physics , chemical physics , materials science , quantum mechanics , ion , ionization , composite material
The electron localization function (ELF) was calculated for the atoms Li to Sr. The ELF maxima reveal the atomic shell structure for all these 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 expected from the Periodic Table of Elements. © 1996 John Wiley & Sons, Inc.