Electronic Resource
New York, NY
:
Wiley-Blackwell
International Journal of Quantum Chemistry
30 (1986), S. 27-29
ISSN:
0020-7608
Keywords:
Computational Chemistry and Molecular Modeling
;
Atomic, Molecular and Optical Physics
Source:
Wiley InterScience Backfile Collection 1832-2000
Topics:
Chemistry and Pharmacology
Notes:
The behavior of the electron density n(r) [and potential energy V(r)] near an impurity of charge Z is studied by using the linear response theory of an electron gas at finite temperature and with exchange and correlation effects included. The odd powers series in the expansion of n(r) [and V(r)] are calculated exactly by using asymptotic methods, and the coefficients in the series are given in terms of moments taken over the Fermi-Dirac distribution function. In all linear response theories and at all temperatures, the derivative n'(0) = -2Zn0/a0, where n0 is the unperturbed electron density and a0 is the Bohr radius. The effects of exchange and correlation appear in the fifth- and higher-order terms in nodd(r).
Type of Medium:
Electronic Resource
URL:
http://dx.doi.org/10.1002/qua.560300105
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