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Summation of Pairwise Potentials in Gas-Surface Interaction Calculations

✍ Scribed by Cabrera, Nicolás

Book ID
118212864
Publisher
American Institute of Physics
Year
1972
Tongue
English
Weight
454 KB
Volume
56
Category
Article
ISSN
0021-9606

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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