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

application_pdf.pngAusarbeitung (318 KB)Info circle.png

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]
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