Electronic Resource
New York, NY
:
Wiley-Blackwell
International Journal of Quantum Chemistry
56 (1995), S. 217-223
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 field theoretical background of relativistic density functional theory is emphasized and its consequences for relativistic Kohn-Sham equations are shown. The local density approximation for the exchange energy functional is reviewed and the importance of relativistic corrections for an accurate representation of the exchange functional is demonstrated. © 1995 John Wiley & Sons, Inc.
Additional Material:
1 Ill.
Type of Medium:
Electronic Resource
URL:
http://dx.doi.org/10.1002/qua.560560405
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