Evaluation of Coulomb potential in a triclinic cell with periodic boundary conditions
classification
❄️ cond-mat.soft
keywords
cellboundaryconditionscoulombevaluationleknerobtainedorthorhombic
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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.
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