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arxiv: cond-mat/9707328 · v1 · pith:YR4VZVHTnew · submitted 1997-07-30 · ❄️ cond-mat · physics.atm-clus

Van der Waals Energies in Density Functional Theory

classification ❄️ cond-mat physics.atm-clus
keywords energiesdensityfunctionalsystemstheorywaalsaccurateaction
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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.

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