A formula and numerical study on Ewald 1D summation
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DOI: 10.1002/jcc.27051
Abstract: Ewald summation is famous for its successful applications in molecular simulations for systems under 2 dimensional periodic boundary condition (2D PBC, e.g., planar interfaces) and systems under 3D PBC (e.g., bulk). However, the extension to… read more here.
Keywords: chemistry; ewald summation; study ewald; summation ... See more keywords