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Local scaling transformation function and atomic shell structure in density functional theory

Authors :
Deb, B M
Dey, Bijoy Kr.
Source :
Pramana; February 1994, Vol. 42 Issue: 2 p149-157, 9p
Publication Year :
1994

Abstract

The method of local scaling transformation in density functional theory calculates a transformation function (TRF) in order to generate an optimized atomic N-electron wave function from a trial density and a reference density/wave function. The TRFsf(r) for several atomic systems are studied and it is observed that the number of minima in df(r)/drequals the number of atomic shells, except whenρ=ρ0andf=r.

Details

Language :
English
ISSN :
03044289
Volume :
42
Issue :
2
Database :
Supplemental Index
Journal :
Pramana
Publication Type :
Periodical
Accession number :
ejs15366157
Full Text :
https://doi.org/10.1007/BF02847510