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