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Staggered Mesh Ewald: An extension of the Smooth Particle-Mesh Ewald method adding great versatility
We draw on an old technique for improving the accuracy of mesh-based field calculations to extend the popular Smooth Particle Mesh Ewald (SPME) algorithm as the Staggered Mesh Ewald (StME) algorithm. StME improves the accuracy of computed forces by up to 1.2 orders of magnitude and also reduces the...
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| Main Authors: | , , , |
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| Formato: | Artigo |
| Idioma: | Inglês |
| Publicado em: |
2009
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| Assuntos: | |
| Acesso em linha: | https://ncbi.nlm.nih.gov/pmc/articles/PMC2822383/ https://ncbi.nlm.nih.gov/pubmed/20174456 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1021/ct9001015 |
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