Wolf method

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In the Wolf method it is suggested that the reciprocal space term of the Ewald Sum may be essentially ignored, provided one compensates the real space contribution by means of a truncation scheme.

Inhomogeneous systems

It appears to be the case (Ref. 3) that the Wolf method has problems for inhomogeneous systems.

See also

References

  1. Dieter Wolf "Reconstruction of NaCl surfaces from a dipolar solution to the Madelung problem", Physical Review Letters 68 pp. 3315-3318 (1992)
  2. D. Wolf, P. Keblinski, S. R. Phillpot, and J. Eggebrecht "Exact method for the simulation of Coulombic systems by spherically truncated, pairwise r-1 summation", Journal of Chemical Physics 110 pp. 8254- (1999)
  3. Francisco Noé Mendoza, Jorge López-Lemus, Gustavo A. Chapela, and José Alejandre "The Wolf method applied to the liquid-vapor interface of water", Journal of Chemical Physics 129 024706 (2008)