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Complex analysis of divergent perturbation theory at finite temperature.

作者信息

Sun Yi, Burton Hugh G A

机构信息

Physical and Theoretical Chemistry Laboratory, Department of Chemistry, University of Oxford, South Parks Road, Oxford OX1 3QZ, United Kingdom.

出版信息

J Chem Phys. 2022 May 7;156(17):171101. doi: 10.1063/5.0091442.

Abstract

We investigate the convergence properties of finite-temperature perturbation theory by considering the mathematical structure of thermodynamic potentials using complex analysis. We discover that zeros of the partition function lead to poles in the internal energy and logarithmic singularities in the Helmholtz free energy that create divergent expansions in the canonical ensemble. Analyzing these zeros reveals that the radius of convergence increases at higher temperatures. In contrast, when the reference state is degenerate, these poles in the internal energy create a zero radius of convergence in the zero-temperature limit. Finally, by showing that the poles in the internal energy reduce to exceptional points in the zero-temperature limit, we unify the two main mathematical representations of quantum phase transitions.

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