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On the calculation of dielectric properties from computer simulations

Author

Listed:
  • Levesque, D.
  • Weis, J.J.

Abstract

We report a reaction field calculation for Stockmayer particles at reduced density ϱ∗ = 0.8, reduced temperature T∗ = 1.35 and reduced dipole moment μ∗ = 1.64 using a relatively large cutoff distance for the dipolar interaction. The dipole-dipole correlation function is compared with corresponding simulations using truly periodic boundary conditions. The mean square fluctuation of the total dipole moment are shown to exhibit a long period oscillation, precluding a determination of the dielectric constant with an accuracy better than 15%, in a Monte-Carlo calculation of the order of 5 × 106 configurations.

Suggested Citation

  • Levesque, D. & Weis, J.J., 1984. "On the calculation of dielectric properties from computer simulations," Physica A: Statistical Mechanics and its Applications, Elsevier, vol. 125(1), pages 270-274.
    • Handle: RePEc:eee:phsmap:v:125:y:1984:i:1:p:270-274
    DOI: 10.1016/0378-4371(84)90015-3
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    1. Tyner, Wally & Adams, John, 1976. "Rural Electrification In India: Biogas Versus Large Scale Power," 1976 Annual Meeting, August 15-18, State College, Pennsylvania 283822, American Agricultural Economics Association (New Name 2008: Agricultural and Applied Economics Association).
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