Fast Ewald sums for general van der Waals potentials Academic Article uri icon

abstract

  • This work considers ways to increase calculation speed for Ewald crystal summations in cases where standard combination rules do not apply. This also increases speed of free-energy perturbation theory calculations. 1997 by John Wiley & Sons, Inc.

published proceedings

  • Journal of Computational Chemistry

author list (cited authors)

  • Chen, Z., ain, T., & Goddard, W. A.

citation count

  • 25

complete list of authors

  • Chen, Zhuo‐Min||Çağin, Tahir||Goddard, William A

publication date

  • August 1997

publisher