Laddar...
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...
Sparad:
| I publikationen: | J Chem Phys |
|---|---|
| Huvudupphovsmän: | , , , , |
| Materialtyp: | Artigo |
| Språk: | Inglês |
| Publicerad: |
AIP Publishing LLC
2015
|
| Ämnen: | |
| Länkar: | 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 |
| Taggar: |
Lägg till en tagg
Inga taggar, Lägg till första taggen!
|