In simulations of systems with periodic boundary conditions, the Ewald image method is used to evaluate long-range potentials by constructing infinite but rapidly converging sums in both real space and reciprocal space. However, the traditional Ewald construction is not optimal for the case where th
An Optimized Ewald Method for Long-Ranged Potentials
✍ Scribed by G. Rajagopal; R.J. Needs
- Publisher
- Elsevier Science
- Year
- 1994
- Tongue
- English
- Weight
- 303 KB
- Volume
- 115
- Category
- Article
- ISSN
- 0021-9991
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