Efficient particle-mesh Ewald based approach to fixed and induced dipolar interactions

Journal Article (Journal Article)

A particle-mesh based method for performing the Ewald summation of large systems of point charges and fixed or induced point dipoles was introduced. The method took advantage of the smooth differentiability of B-splines to perform gradients in real space during the grid interpolation steps of the algorithm as in the smooth particle-mesh Ewald method (SPME).

Full Text

Duke Authors

Cited Authors

  • Toukmaji, A; Sagui, C; Board, J; Darden, T

Published Date

  • December 1, 2000

Published In

Volume / Issue

  • 113 / 24

Start / End Page

  • 10913 - 10927

International Standard Serial Number (ISSN)

  • 0021-9606

Digital Object Identifier (DOI)

  • 10.1063/1.1324708

Citation Source

  • Scopus