Boundary Conditions in the Simulation of Ionic Systems
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.
KeywordsDielectric Constant Simulation Experiment Periodic Array Induce Polarization Ionic System
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- 2.E.R. Smith, this volume.Google Scholar
- 6.S.W. de Leeuw, J.W. Perram and E.R. Smith, Proc. Royal Soc. A 373, 57 (1980).Google Scholar
- 12.E.R. Smith, C.S. Hoskins and C.C. Wright, Mol. Phys. (in press).Google Scholar
- 13.S.W. de Leeuw and J.W. Perram, Physica A (in press).Google Scholar
- 14.M. Abramowitz and I.A. Stegun, “Handbook of Mathematical Functions,” New York, Dover, 1964.Google Scholar