A carregar...
Multilevel summation for periodic electrostatics using B-splines
Fast methods for calculating two-body interactions have many applications, and for molecular science and cosmology, it is common to employ periodic boundary conditions. However, for the 1/r potential, the energy and forces are ill-defined. Adopted here is the model given by the classic Ewald sum. Fo...
Na minha lista:
| Publicado no: | J Chem Phys |
|---|---|
| Main Authors: | , , |
| Formato: | Artigo |
| Idioma: | Inglês |
| Publicado em: |
AIP Publishing LLC
2021
|
| Assuntos: | |
| Acesso em linha: | https://ncbi.nlm.nih.gov/pmc/articles/PMC8036131/ https://ncbi.nlm.nih.gov/pubmed/33858159 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1063/5.0040925 |
| Tags: |
Adicionar Tag
Sem tags, seja o primeiro a adicionar uma tag!
|