Restricted configuration path integral Monte Carlo
نویسندگان
چکیده
منابع مشابه
Permutation sampling in Path Integral Monte Carlo
Abstract A simple algorithm is described to sample permutations of identical particles in Path Integral Monte Carlo (PIMC) simulations of continuum many-body systems. The sampling strategy illustrated here is fairly general, and can be easily incorporated in any PIMC implementation based on the staging algorithm. Although it is similar in spirit to an existing prescription, it differs from it i...
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Supported by grants from NSF and NIH. The work reported here was partially supported by a grant of supercomputer time on the University of Minnesota Cray 1 by the OASC of NSF. 1 Department of Chemistry, Columbia University, New York, N.Y. 10027. 2 For simplicity we discuss particle motion in one dimension. These expressions are easily generalized. Because many questions still remain about the f...
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ژورنال
عنوان ژورنال: The Journal of Chemical Physics
سال: 2020
ISSN: 0021-9606,1089-7690
DOI: 10.1063/5.0022800