Boundary Conditions in the Simulation of Ionic Systems

  • S. W. de Leeuw
Part of the NATO Advanced Science Institutes Series book series (volume 92)


The Hamiltonian of a periodic array of charges contains terms depending on the shape and the surroundings of the system. The effect of these terms on the properties of the system is considered and some relations are derived for the long wavelength behaviour of fluctuations in the system. A brief discussion of the dynamical properties of the system under different boundary conditions is given.


Dielectric Constant Simulation Experiment Periodic Array Induce Polarization Ionic System 
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Copyright information

© Plenum Press, New York 1983

Authors and Affiliations

  • S. W. de Leeuw
    • 1
  1. 1.Theoretical PhysicsOxfordUK

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