4.8 Article

Flat histogram methods for quantum systems: Algorithms to overcome tunnelling problems and calculate the free energy

Journal

PHYSICAL REVIEW LETTERS
Volume 90, Issue 12, Pages -

Publisher

AMERICAN PHYSICAL SOC
DOI: 10.1103/PhysRevLett.90.120201

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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.

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