Hauptseminar Moderne Simulationsmethoden WS 2009/Langreichweitige Wechselwirkungen
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{{Seminartopic date=2009-11-12 topic=Langreichweitige Wechselwirkungen in periodischen Geometrien speaker=Felix Andraschko tutor=Stefan Kesselheim }}
Ausarbeitung
Ausarbeitung (318 KB)
Literatur
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P. P. Ewald.
"Die Berechnung optischer und elektrostatischer Gitterpotentiale".
Annalen der Physik 369(3)(253–287), 1921.
[PDF] (2 MB) [DOI] -
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".
The 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".
The Journal of Chemical Physics 109(7694), 1998.
[PDF] (200 KB) [DOI]