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Physical interpretation of density-functional theory and of its representation of the Hartree-Fock and Hartree theories

✍ Scribed by Sahni, Viraht


Book ID
126850223
Publisher
The American Physical Society
Year
1997
Tongue
English
Weight
212 KB
Volume
55
Category
Article
ISSN
1050-2947

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Previous attempts to combine Hartree–Fock theory with local density-functional theory have been unsuccessful in applications to molecular bonding. We derive a new coupling of these two theories that maintains their simplicity and computational efficiency, and yet greatly improves their predictive po