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Matches in SemOpenAlex for { <https://semopenalex.org/work/W3104272004> ?p ?o ?g. }

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• W3104272004 abstract "We discuss the origin and relevance for computer simulations of a strong finite‐size effect that appears when using the Ewald summation formula. It can be understood as arising from a volume‐dependent shift of the potential in a finite, periodic box relative to the infinite volume limit. This shift is due to the fact that the ‘‘zero of energy’’ for a periodic system cannot be defined by letting the interacting particles be separated by an infinite distance; the correct definition corresponds to setting its k=0 Fourier mode to zero. The implications of this effect for computer simulations are discussed." @default.
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• W3104272004 date "1995-10-08" @default.
• W3104272004 modified "2023-09-27" @default.
• W3104272004 title "On finite‐size effects in computer simulations using the Ewald potential" @default.
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• W3104272004 doi "https://doi.org/10.1063/1.470721" @default.
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