An Ewald summation based multipole method
نویسندگان
چکیده
منابع مشابه
An Ewald summation based multipole method
~assuming the simulation box is cubic!, where qi and ri are the charge and position of particle i, L is the size of the simulation box, n5(n1 ,n2 ,n3), and the prime indicates that the i5 j terms are omitted when n50. The Ewald summation method has been widely used to handle the lattice sum in Eq. ~1!. In the method, the above-mentioned conditionally convergent series is written as a sum of a c...
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ژورنال
عنوان ژورنال: The Journal of Chemical Physics
سال: 2000
ISSN: 0021-9606,1089-7690
DOI: 10.1063/1.1289918