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

Annabelle Oz; Oded Hod; Abraham Nitzan

doi:10.1021/acs.jctc.9b00999

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

Annabelle Oz, Oded Hod, Abraham Nitzan^*

^*Corresponding author for this work

School of Chemistry

University of Pennsylvania

Research output: Contribution to journal › Article › peer-review

18 Scopus citations

Abstract

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.

Original language	English
Pages (from-to)	1232-1248
Number of pages	17
Journal	Journal of Chemical Theory and Computation
Volume	16
Issue number	2
DOIs	https://doi.org/10.1021/acs.jctc.9b00999
State	Published - 11 Feb 2020

Funding

Funders	Funder number
Center for Nanoscience and Nanotechnology of Tel-Aviv University
Israel-U.S. Binational Science Foundation
Ministry of Science and Technology of Israel	3-16244
Naomi Foundation
Tel-Aviv University
U.S. National Science Foundation	CHE1665291
National Science Foundation	1665291
University of Pennsylvania
Deutsche Forschungsgemeinschaft	TH 820/11-1
Israel Academy of Sciences and Humanities
Israel Science Foundation	1740/13

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abstract = "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.",

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Numerical Approach to Nonequilibrium Quantum Thermodynamics: Nonperturbative Treatment of the Driven Resonant Level Model Based on the Driven Liouville von-Neumann Formalism. / Oz, Annabelle; Hod, Oded ; Nitzan, Abraham.
In: Journal of Chemical Theory and Computation, Vol. 16, No. 2, 11.02.2020, p. 1232-1248.

Research output: Contribution to journal › Article › peer-review

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

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