Numerical Approach to Nonequilibrium Quantum Thermodynamics: Nonperturbative Treatment of the Driven Resonant Level Model Based on the Driven Liouville von-Neumann Formalism

Nonequilibrium thermodynamics of the driven resonant-level model is studied using numerical simulations based on the driven Liouville von-Neumann formalism. The approach is first validated against recently obtained analytical results for quasistatic level shifts and the corresponding first-order cor...

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Bibliographic Details
Published in:Journal of chemical theory and computation 2020-02, Vol.16 (2), p.1232-1248
Main Authors: Oz, Annabelle, Hod, Oded, Nitzan, Abraham
Format: Article
Language:English
Subjects:
Computer simulation
Formalism
Mathematical models
Nonequilibrium thermodynamics
Thermodynamic equilibrium
Thermodynamic properties
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Summary:Nonequilibrium thermodynamics of the driven resonant-level model is studied using numerical simulations based on the driven Liouville von-Neumann formalism. The approach is first validated against recently obtained analytical results for quasistatic level shifts and the corresponding first-order corrections. The numerical approach is then used to study far-from-equilibrium thermodynamic properties of the system under finite level shift rates. The proposed methodology allows the study of unexplored nonequilibrium thermodynamic regimes in open quantum systems.
ISSN:1549-9618
1549-9626
DOI:10.1021/acs.jctc.9b00999