Evaluation of Coulomb potential in a triclinic cell with periodic boundary conditions
arXiv:cond-mat/0602044 · doi:10.1080/00268970600750773
Abstract
Lekner and Sperb's work on the evaluation of Coulomb energy and forces under periodic boundary conditions is generalized that makes it possible to use a triclinic unit cell in simulations in 3D rather than just an orthorhombic cell. The expressions obtained are in a similar form as previously obtained by Lekner and Sperb for the especial case of orthorhombic cell.