Efficient calculation of short-range Coulomb energies
نویسندگان
چکیده
An efficient algorithm for the calculation of short-range Coulomb energies is examined. The algorithm uses a boxing scheme and a prescreening for negligible integrals to evaluate the short-range Coulomb energy via computational work that scales only linearly with the size of the system. Q 1999 John Wiley & Sons, Inc. J Comput Chem 20: 921]927, 1999
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عنوان ژورنال:
- Journal of Computational Chemistry
دوره 20 شماره
صفحات -
تاریخ انتشار 1999