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Analytical derivation of equilibrium state for open quantum system

Andrius Gelžinis, Leonas Valkūnas

2020The Journal of Chemical Physics25 citationsDOIOpen Access PDF

Abstract

Calculation of the equilibrium state of an open quantum system interacting with a bath remains a challenge to this day, mostly due to a huge number of bath degrees of freedom. Here, we present an analytical expression for the reduced density operator in terms of an effective Hamiltonian for a high temperature case. Comparing with numerically exact results, we show that our theory is accurate for slow baths and up to intermediate system-bath coupling strengths. Our results demonstrate that the equilibrium state does not depend on the shape of spectral density in the slow bath regime. The key quantity in our theory is the effective coupling between the states, which depends exponentially on the ratio of the reorganization energy to temperature and, thus, has opposite temperature dependence than could be expected from the small polaron transformation.

Topics & Concepts

Hamiltonian (control theory)PolaronQuantumQuantum systemOperator (biology)PhysicsQuantum mechanicsDegrees of freedom (physics and chemistry)Thermodynamic equilibriumOpen system (computing)Closed system (control theory)Coupling (piping)Statistical physicsChemistryThermodynamicsMaterials scienceElectronMathematicsTranscription factorArchitectureArtMathematical optimizationMetallurgyGeneRepressorVisual artsBiochemistrySpectroscopy and Quantum Chemical StudiesAdvanced Thermodynamics and Statistical MechanicsQuantum Information and Cryptography
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