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Asymptotic behaviour of the ratio of density gradient to electron density for atomic systems.

Authors :
Hô, Minhhuy
Smith Jr, Vedene H.
Sagar, Robin P.
Esqivel, Rodolfo O.
Source :
Molecular Physics; 10/20/2001, Vol. 99 Issue 20, p1727-1728, 2p
Publication Year :
2001

Abstract

The asymptotic behaviour of the negative ratio of the density gradient to the electron density, q(r), for neutral and singly charged atoms has been investigated. The results show that, for large r, q(r) can approach its limit √8ε, where ε is the first ionization potential, from either above or below depending on the specific system considered. [ABSTRACT FROM AUTHOR]

Details

Language :
English
ISSN :
00268976
Volume :
99
Issue :
20
Database :
Complementary Index
Journal :
Molecular Physics
Publication Type :
Academic Journal
Accession number :
5180222
Full Text :
https://doi.org/10.1080/00268970110051695