Ewald methods for inverse power-law interactions in tridimensional and quasi-two-dimensional systems
Creators
- 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/10.1088/1751-8113/43/42/425002Additional 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