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The homogeneity condition: A simple way to derive isotropic periodic sum potentials for efficient calculation of long-range interactions in molecular simulation
Isotropic periodic sum (IPS) is a method to calculate long-range interactions based on the homogeneity of simulation systems. By using the isotropic periodic images of a local region to represent remote structures, long-range interactions become a function of the local conformation. This function is...
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| Published in: | J Chem Phys |
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| Main Authors: | , |
| Format: | Artigo |
| Language: | Inglês |
| Published: |
AIP Publishing LLC
2019
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| Subjects: | |
| Online Access: | https://ncbi.nlm.nih.gov/pmc/articles/PMC6551215/ https://ncbi.nlm.nih.gov/pubmed/31176325 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1063/1.5097560 |
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