| Article ID | Journal | Published Year | Pages | File Type |
|---|---|---|---|---|
| 5384948 | Chemical Physics Letters | 2010 | 6 Pages |
Abstract
⺠Gaussian charges influence only real-space Ewald terms. ⺠k = 0 divergences are identical between Gaussian and point charges. ⺠Continuum results arise naturally from representing a metal by Gaussian charges. ⺠Classical model convergence to long-range continuum results insensitive to Gaussian spread. ⺠Comparisons with continuum theory may not be the optimal way to parameterise Gaussian spreads of a Siepmann/Sprik model.
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Authors
Todd R. Gingrich, Mark Wilson,