Electrostatic pair-potentials based on the Poisson equation
Electrostatic pair-potentials within molecular simulations are often based on empirical data, cancellation of derivatives or moments, or statistical distributions of image-particles. In this work we start with the fundamental Poisson equation and show that no truncated Coulomb pair-potential, unsurp...
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| Format: | Article |
| Language: | English |
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IOP Publishing
2019-01-01
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| Series: | New Journal of Physics |
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| Online Access: | https://doi.org/10.1088/1367-2630/ab1ec1 |