Hauptseminar Moderne Simulationsmethoden WS 2009/Langreichweitige Wechselwirkungen

{{Seminartopic date=2009-11-12 topic=Langreichweitige Wechselwirkungen in periodischen Geometrien speaker=Felix Andraschko tutor=Stefan Kesselheim }}

Ausarbeitung

P. P. Ewald.
Die Berechnung optischer und elektrostatischer Gitterpotentiale.
Annalen der Physik 369(3):253–287, 1921.
[PDF] (1.3 MB) [DOI]
Daan Frenkel, Berend Smit.
Understanding Molecular Simulation: From Algorithms to Applications.
Part of Computational Science, volume 1. Edition 2.
Academic Press, San Diego, 2002. ISBN: 978-0-12-267351-1.
[DOI]
Markus Deserno, Christian Holm.
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]
Markus Deserno, Christian Holm.
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]