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Isotropic periodic sum for multipole interactions and a vector relation for calculation of the Cartesian multipole tensor
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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| Udgivet i: | J Chem Phys |
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| Main Authors: | , , |
| Format: | Artigo |
| Sprog: | Inglês |
| Udgivet: |
AIP Publishing LLC
2016
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| Fag: | |
| Online adgang: | https://ncbi.nlm.nih.gov/pmc/articles/PMC5085978/ https://ncbi.nlm.nih.gov/pubmed/27802614 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1063/1.4966019 |
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