Maximum entropy method of obtaining thermodynamic properties from quantum Monte Carlo simulations
- 1 April 2000
- journal article
- research article
- Published by American Physical Society (APS) in Physical Review B
- Vol. 61 (14) , 9300-9306
- https://doi.org/10.1103/physrevb.61.9300
Abstract
We describe a method of obtaining thermodynamic properties of quantum systems using Bayesian inference maximum entropy techniques. The method is applicable to energy values sampled at a discrete set of temperatures from quantum Monte Carlo simulations. The internal energy and the specific heat of the system are easily obtained as are errorbars on these quantities. The entropy and the free energy are also obtainable. No assumptions as to the specific functional form of the energy are made. The use of a priori information, such as a sum rule on the entropy, is built into the method. As a nontrivial example of the method, we obtain the specific heat of the three-dimensional periodic Anderson model.Keywords
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