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 importance of the Fermi-Amaldi correction for the Thomas-Fermi theory for ions is analyzed. An analytical trial electron density with a proper limiting behavior has been chosen and the Thomas-Fermi-Amaldi energy expression is minimized in a variational way for several closed-shell ions. The obtained optimum electron densities have been used for calculating the diamagnetic susceptibilities, and a comparison with other theoretical results and available experimental data is performed.
Additional Material:
2 Tab.
Type of Medium:
Electronic Resource
URL:
http://dx.doi.org/10.1002/qua.560220512
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