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A double exponential potential for van der Waals interaction

Van der Waals (vdw) interaction is an important force between atoms and molecules. Many potential functions have been proposed to model vdw interaction such as the Lennard-Jones (L-J) potential. To overcome certain drawbacks of existing function forms, this work proposes a double exponential (DE) po...

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Detalles Bibliográficos
Autores principales: Wu, Xiongwu, Brooks, Bernard R.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: AIP Publishing LLC 2019
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6555761/
https://www.ncbi.nlm.nih.gov/pubmed/31186990
http://dx.doi.org/10.1063/1.5107505