Hauptseminar Moderne Simulationsmethoden WS 2009/Langreichweitige Wechselwirkungen
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- Date
- 2009-11-12
- Topic
- Langreichweitige Wechselwirkungen in periodischen Geometrien
- Speaker
- Felix Andraschko
- Tutor
- Stefan Kesselheim
Ausarbeitung
Ausarbeitung (318 KB)
Literatur
-
P. P. Ewald.
"Die Berechnung optischer und elektrostatischer Gitterpotentiale".
Annales de Physique 369(3)(253–287), 1921.
[PDF] (2 MB) -
Daan Frenkel and Berend Smit.
"Understanding Molecular Simulation".
Academic Press, San Diego, 2002.
[DOI] -
Deserno, Markus and Holm, Christian.
"How to mesh up Ewald sums. I. A theoretical and numerical comparison of various particle mesh routines".
Journal of Chemical Physics 109(7678), 1998.
[PDF] (307 KB) [DOI] -
Deserno, Markus and Holm, Christian.
"How to mesh up Ewald sums. II. An accurate error estimate for the Particle-Particle-Particle-Mesh algorithm".
Journal of Chemical Physics 109(7694), 1998.
[PDF] (200 KB) [DOI]