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.
  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]