van der Waals Energies in Density Functional Theory
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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.
[1] R. Dreizler,et al. Density Functional Theory: An Approach to the Quantum Many-Body Problem , 1991 .