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

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Literatur

    • 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]
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