Van der Waals Energies in Density Functional Theory

Preprint

31 July 1997

preprint
Published by arXiv in arXiv

https://doi.org/10.48550/arXiv.cond-mat/9707328

Abstract

In principle, density functional theory yields the correct ground-state densities and energies of electronic systems under the action of a static external potential. However, traditional approximations fail to include Van der Waals energies between separated systems. This paper proposes a practical procedure for remedying this difficulty. Our method allows seamless calculations between small and large inter-system distances. The asymptotic H-He and He--He interactions are calculated as a first illustration, with very accurate results.

Keywords

DENSITY FUNCTIONAL THEORY
ENERGIES IN DENSITY
DER WAALS ENERGIES
STATE DENSITIES
THEORY YIELDS
VAN DER

All Related Versions

Version 1, 1997-07-31, ArXiv
Published version: Physical Review Letters, 80 (19), 4153.

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