Thermal Schrödinger Equation: Efficient Tool for Simulation of Many‐Body Quantum Dynamics at Finite Temperature |
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Authors: | Maxim F. Gelin Raffaele Borrelli |
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Affiliation: | 1. Department of Chemistry, Technische Universit?t München, Garching, Germany;2. DISAFA, University of Torino, Grugliasco, Italy |
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Abstract: | We develop a wave‐function‐based method for the simulation of quantum dynamics of systems with many degrees of freedom at finite temperature. The method is inspired by the ideas of Thermo Field Dynamics (TFD). As TFD, our method is based on the doubling of the system's degrees of freedom and thermal Bogoliubov transformation. As distinct from TFD, our method implements the doubling of thermalized degrees of freedom only, and relies upon the explicitly constructed generalized thermal Bogoliubov transformation, which is not restricted to fermionic and bosonic degrees of freedom. This renders the present approach computationally efficient and applicable to a large variety of systems. |
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Keywords: | Thermo Field Dynamics quantum dynamics |
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