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Ewald summation of electrostatic interactions in molecular dynamics of a three-dimensional system with periodicity in two directions

✍ Scribed by Grzybowski, A.; Gwóźdź, E.; Bródka, A.

Book ID
126290357
Publisher
The American Physical Society
Year
2000
Tongue
English
Weight
95 KB
Volume
61
Category
Article
ISSN
1098-0121

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Ewald summation versus direct summation
Ewald summation versus direct summation of shifted-force potentials for the calculation of electrostatic interactions in solids: A quantitative study
✍ Dufner, H.; Kast, S. M.; Brickmann, J.; Schlenkrich, M. 📂 Article 📅 1997 🏛 John Wiley and Sons 🌐 English ⚖ 432 KB 👁 2 views

The calculated Madelung energies and Madelung forces of the electrostatic interaction for nine crystal structures are reported. The method of direct summation with two different shifted-force potentials is compared to the Ewald summation. There is a considerable difference in the convergence of the