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.

author list (cited authors)

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

citation count

  • 19

publication date

  • August 1997

publisher