Fast Ewald sums for general van der Waals potentials
نویسندگان
چکیده
We consider ways to increase calculational speed for Ewald of crystal summations in cases where standard combination rules do not apply. This also increases in the speed for the free-energy perturbation theory calculations.
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عنوان ژورنال:
- Journal of Computational Chemistry
دوره 18 شماره
صفحات -
تاریخ انتشار 1997