Published October 22, 2010 | Version v1
Journal article

Ewald methods for inverse power-law interactions in tridimensional and quasi-two-dimensional systems

  • 1. Laboratoire de Physique Theorique (UMR 8627), Universite de Paris Sud 11 et CNRS, Batiment 210, 91405 Orsay Cedex (France)

Description

In this paper, we derive the Ewald method for inverse power-law interactions in quasi-two-dimensional systems. The derivation is done by using two different analytical methods. The first uses Parry's limit that considers the Ewald methods for quasi-two-dimensional systems as a limit of the Ewald methods for tridimensional systems; the second uses Poisson-Jacobi identities for lattice sums. Taking into account the equivalence of both derivations, we obtain a new analytical Fourier transform integral involving an incomplete gamma function. Energies of the generalized restrictive primitive model of electrolytes (η-RPM) and of the generalized one-component plasma model (η-OCP) are given for the tridimensional, quasi-two-dimensional and monolayers systems. Few numerical results, using Monte Carlo simulations, for η-RPM and η-OCP monolayer systems are reported.

Availability note (English)

Available from http://dx.doi.org/10.1088/1751-8113/43/42/425002

Additional details

Identifiers

DOI
10.1088/1751-8113/43/42/425002;
PII
S1751-8113(10)56327-3;

Publishing Information

Journal Title
Journal of Physics. A, Mathematical and Theoretical (Online)
Journal Volume
43
Journal Issue
42
Journal Page Range
[16 p.]
ISSN
1751-8121

INIS

Country of Publication
United Kingdom
Country of Input or Organization
International Atomic Energy Agency (IAEA)
INIS RN
42042301
Subject category
S97: MATHEMATICAL METHODS AND COMPUTING;
Descriptors DEI
COMPUTERIZED SIMULATION; ELECTROLYTES; FOURIER TRANSFORMATION; GAMMA FUNCTION; INTEGRALS; MONTE CARLO METHOD; TWO-DIMENSIONAL CALCULATIONS
Descriptors DEC
CALCULATION METHODS; FUNCTIONS; INTEGRAL TRANSFORMATIONS; SIMULATION; TRANSFORMATIONS