Note: A pairwise form of the Ewald sum for non-neutral systems
نویسندگان
چکیده
منابع مشابه
Optimisation of the Ewald Sum
Introduction It is part of the folk law of simulation that the execution time for the Ewald sum scales with N , the number of ions, as N . This result has appeared in print in various forms, e.g [1]. However, in view of a recent paper [2] which claims it is order N , I thought it worthwhile to go over the argument here, and bring out some points of practical importance. We will consider a cubic...
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ژورنال
عنوان ژورنال: The Journal of Chemical Physics
سال: 2017
ISSN: 0021-9606,1089-7690
DOI: 10.1063/1.4998320