Journal
PHYSICAL REVIEW B
Volume 72, Issue 3, Pages -Publisher
AMER PHYSICAL SOC
DOI: 10.1103/PhysRevB.72.033109
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We propose a specific nonlocal density functional for the description of the asymptotic van der Waals interactions. We test the accuracy of the functional by calculating the long range van der Waals coefficients C-6 for several dimers involving alkali-metal, alkaline-earth-metal, and noble-gas atoms. When we adjust the functional to fitting the ab initio dynamic dipole polarizability of the hydrogen atom, our results show a mean absolute deviation of only 2% from results of recent highly accurate calculations. Evaluated Axilrod-Teller coefficients C-9, the nonadditivity three-body dipole van der Waals coefficients, show similarly accurate results.
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