Electrostatic Energies of Crystals in Space of Arbitrary Dimension(Nuclear Physics)

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概要

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• We present a new method to evaluate electrostatic energies under periodic boundary conditions. The lattice sum of Coulomb potentials is expressed through the elliptic 〓 function of the third kind. This enables us to evaluate electrostatic energies of ionic crystals very accurately and with very rapid convergence. In particular, we study the dimensionality of the electrostatic energies of NaCl-type and CsCl-type crystals, whose expressions are functions of the spatial dimension treated as a real number. Furthermore, the expressions we obtain are applicable to computational simulations using molecular dynamics and Monte Carlo methods. We generate random distributions of point charges under periodic boundary conditions, and we analyze the randomness and its anisotoropy on the basis of potential distributions.

• 理論物理学刊行会の論文
• 2005-02-25

著者

• Tohsaki Akihiro

  Department Of Fine Materials Engineering Shinshu University

• Tohsaki Akihiro

  Department Of Fine Materials Engineering:(present Address)suzuki Corporation

• TOHSAKI Akihiro

  Suzuki Corporation

• Takemoto Hiroki

  Department Of Electrical Engineering Faculty Of Engineering Ryukyu University

• TAKEMOTO Hiroki

  Department of Physics, Kyoto University

• TAKEMOTO Hiroki

  Department of Fine Materials Engineering, Shinshu University:(Present address)Department of Physics, Kyoto University

• TOHSAKI Akihiro

  Physique Nucleaire Theorique et Physique Mathematique Universite Libre de Bruxelles:Department of Physics, University of Oxford

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