Electronic Resource
College Park, Md.
:
American Institute of Physics (AIP)
The Journal of Chemical Physics
107 (1997), S. 1227-1231
ISSN:
1089-7690
Source:
AIP Digital Archive
Topics:
Physics
,
Chemistry and Pharmacology
Notes:
Bounds to atomic information entropies and their sum in position and momentum spaces have been derived in terms of radial and momentum expectation values 〈rn〉 and 〈pn〉. Numerical studies on atomic systems show that the bounds presented in terms of 〈r〉 and 〈p〉, the first moments of the position and momentum space densities are sharper than those given by Gadre and Bendale in terms of 〈r2〉 and 〈p2〉, the second moments of the position and momentum space densities. Within the BKCM procedure due to Burkhardt, Kónya, Coulson, and March, several relationships between the information entropies and the average electron densities 〈ρ〉 and 〈γ〉 in position and momentum spaces have been established. © 1997 American Institute of Physics.
Type of Medium:
Electronic Resource
URL:
http://dx.doi.org/10.1063/1.474467
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