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Estimation of the difference between molecular dynamics and monte carlo averages due to the truncation of the potential

✍ Scribed by Mihaly Mezei

Publisher: Elsevier Science
Year: 1980
Tongue: English
Weight: 208 KB
Volume: 74
Category: Article
ISSN: 0009-2614
DOI: 10.1016/0009-2614(80)85024-x

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✦ Synopsis

A particular discrepancy between hIonte Carlo and molecular dynamics calculations us& a truncated potential is analysed and an approwmate method for its estimate based on h ¶onte Carlo calculation is presented. Results are given for the

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