Van der Waals density functional from multipole dispersion interactions
We present a van der Waals density functional from high order multipole dispersion interactions between pairs of atoms. Calculated C2m≤16 dispersion coefficients for dimers involving alkali, alkaline-earth, and noble gas atoms show mean absolute deviations in the range of 2%–6% from highly accurate...
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| Formato: | article |
| Idioma: | English |
| Publicado em: |
AIP Publishing
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| Endereço do item: | https://repositorio.ufrn.br/handle/123456789/31010 |
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