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 local density approximation (LDA) to exchange and correlation effects has well-known limitations. The nonlocal weighted density approximation (WDA) corrects some of those defects. This is illustrated here by applications to free atoms and small atomic clusters. The WDA also induces a nonlocal kinetic energy functional that is tested for atoms. © 1995 John Wiley & Sons, Inc.
Additional Material:
6 Ill.
Type of Medium:
Electronic Resource
URL:
http://dx.doi.org/10.1002/qua.560560508
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