Entropic sampling in the path integral Monte Carlo method

被引:16
|
作者
Vorontsov-Velyaminov, PN [1 ]
Lyubartsev, AP
机构
[1] St Petersburg State Univ, Fac Phys, Dept Mol Biophys, St Petersburg 198504, Russia
[2] Univ Stockholm, Arrhenius Lab, Div Phys Chem, S-10691 Stockholm, Sweden
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D O I
10.1088/0305-4470/36/3/307
中图分类号
O4 [物理学];
学科分类号
0702 ;
摘要
We have extended the entropic sampling Monte Carlo method to the case of path integral representation of a quantum system. A two-dimensional density of states is introduced into path integral form of the quantum canonical partition function. Entropic sampling technique within the algorithm suggested recently by Wang and Landau (Wang F and Landau D P 2001 Phys. Rev. Lett. 86 2050) is then applied to calculate the corresponding entropy distribution. A three-dimensional quantum oscillator is considered as an example. Canonical distributions for a wide range of temperatures are obtained in a single simulation run, and exact data for the energy are reproduced.
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页码:685 / 693
页数:9
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