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Density-functional approach to the three-body dispersion interaction based on the exchange dipole moment
We implement and compute the density functional nonadditive three-body dispersion interaction using a combination of Tang-Karplus formalism and the exchange-dipole moment model of Becke and Johnson. The computation of the C(9) dispersion coefficients is done in a non-empirical fashion. The obtained...
Shranjeno v:
| izdano v: | J Chem Phys |
|---|---|
| Main Authors: | , , , , |
| Format: | Artigo |
| Jezik: | Inglês |
| Izdano: |
AIP Publishing LLC
2015
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| Teme: | |
| Online dostop: | https://ncbi.nlm.nih.gov/pmc/articles/PMC4560718/ https://ncbi.nlm.nih.gov/pubmed/26328836 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1063/1.4929581 |
| Oznake: |
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