Wolf method: Difference between revisions
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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== | ==Inhomogeneous systems== | ||
It appears to be the case (Ref. 3) that the Wolf method has problems for inhomogeneous systems. | It appears to be the case (Ref. 3) that the Wolf method has problems for inhomogeneous systems. | ||
==See also== | ==See also== | ||
*[[Ewald sum]] | *[[Ewald sum]] | ||
Revision as of 12:15, 4 July 2012
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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
- Dieter Wolf "Reconstruction of NaCl surfaces from a dipolar solution to the Madelung problem", Physical Review Letters 68 pp. 3315-3318 (1992)
- 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)
- 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)