Flat histogram methods for quantum systems: algorithms to overcome tunneling problems and calculate the free energy

We present a generalization of the classical Wang-Landau algorithm [Phys. Rev. Lett. 86, 2050 (2001)]] to quantum systems. The algorithm proceeds by stochastically evaluating the coefficients of a high temperature series expansion or a finite temperature perturbation expansion to arbitrary order. Si...

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Bibliographic Details
Published in:Physical review letters 2003-03, Vol.90 (12), p.120201-120201, Article 120201
Main Authors: Troyer, Matthias, Wessel, Stefan, Alet, Fabien
Format: Article
Language:English
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Summary:We present a generalization of the classical Wang-Landau algorithm [Phys. Rev. Lett. 86, 2050 (2001)]] to quantum systems. The algorithm proceeds by stochastically evaluating the coefficients of a high temperature series expansion or a finite temperature perturbation expansion to arbitrary order. Similar to their classical counterpart, the algorithms are efficient at thermal and quantum phase transitions, greatly reducing the tunneling problem at first order phase transitions, and allow the direct calculation of the free energy and entropy.
ISSN:0031-9007
1079-7114
DOI:10.1103/PhysRevLett.90.120201