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A density-functional calculation of dynamic dipole polarizabilities of noble gas atoms

Authors :
Ghosh, S. K.
Deb, B. M.
Source :
Theoretica Chimica Acta; May 1983, Vol. 62 Issue: 3 p209-217, 9p
Publication Year :
1983

Abstract

Using a very simple trial function and unperturbed electron densities calculated by a new procedure, the frequency-dependent dipole polarizability a (?) of Ne, Ar, Kr and Xe has been calculated in the range 0 = ? = 0.45 a.u., by a Karplus-Kolker-type variation-perturbation method. Results progressively worsen for larger systems so that, for Xe, a(0) is only 75% of the experimental value. Probable reasons for this are discussed.

Details

Language :
English
ISSN :
00405744
Volume :
62
Issue :
3
Database :
Supplemental Index
Journal :
Theoretica Chimica Acta
Publication Type :
Periodical
Accession number :
ejs15513683
Full Text :
https://doi.org/10.1007/BF00548835