Ewald summation of electrostatic interactions in molecular dynamics of a three-dimensional system with periodicity in two directions

Citation
A. Grzybowski et al., Ewald summation of electrostatic interactions in molecular dynamics of a three-dimensional system with periodicity in two directions, PHYS REV B, 61(10), 2000, pp. 6706-6712
Citations number
18
Categorie Soggetti
Apllied Physucs/Condensed Matter/Materiales Science
Journal title
PHYSICAL REVIEW B
ISSN journal
10980121 → ACNP
Volume
61
Issue
10
Year of publication
2000
Pages
6706 - 6712
Database
ISI
SICI code
1098-0121(20000301)61:10<6706:ESOEII>2.0.ZU;2-G
Abstract
The Poisson summation formula is used to calculate the effective interactio n of charged particles in a three-dimensional system with periodicity in tw o dimensions. The interaction energy expression is identical to that obtain ed from the Berthaut approach for the Gaussian spreading function, and its correspondence with the results of the Rhee-Halley-Hautman-Rahman method is shown. The formalism based on the Poisson summation formula is used also t o calculate the interaction energy of point-dipole moments.