Calculations of equilibrium properties of quantum systems using the expanded ensemble MC technique
Authors
-
M.A. Voznesenskiy
-
P.N. Vorontsov-Velyaminov
-
A.P. Lyubartsev
Keywords:
Monte-Carlo method
quantum statistics
path integral
density matrix
Abstract
The expanded ensemble Monte-Carlo method with the Wang-Landau algorithm is used to calculate the ratio of partition functions for each class of permuations in the problem of several interacting particles (fermions) in an external field. The complete partition function and the average energy for a system of indentical particles is obtained at finite temperatures down to their low values. Keywords: Monte-Carlo method, quantum statistics, path integral, density matrix
Section
Section 1. Numerical methods and applications
Author Biographies
P.N. Vorontsov-Velyaminov
A.P. Lyubartsev
Stockholm University,
Division of Physical Chemistry, Arrhenius Laboratory
Universitetsvägen 10A, SE-106 91 Stockholm, Sweden
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