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arXiv:1106.1775 · Physical Review E

Hamiltonian of mean force for damped quantum systems

Stefanie Hilt, Benedikt Thomas, Eric Lutz

Published Sep 7, 2011• 41 citations
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Abstract

We consider a quantum system linearly coupled to a reservoir of harmonic oscillators. For finite coupling strengths, the stationary distribution of the damped system deviates from the predictions of standard thermodynamics. With the help of the quantum Hamiltonian of mean force, we quantify this deviation exactly for a harmonic oscillator and provide approximations in the limit of high and low temperatures and weak and strong couplings. Moreover, in the semiclassical regime, we use the quantum Smoluchowski equation to obtain results valid for any potential. We finally give a physical interpretation of the deviation in terms of the initial system-reservoir coupling.

DOI
10.1103/physreve.84.031110

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We consider a quantum system linearly coupled to a reservoir of harmonic oscillators. For finite coupling strengths, the stationary distribution of the damped system deviates from the predictions of standard thermodynamics. With the help of the quantum Hamiltonian of mean force, we quantify this deviation exactly for a harmonic oscillator and provide approximations in the limit of high and low temperatures and weak and strong couplings. Moreover, in the semiclassical regime, we use the quantum Smoluchowski equation to obtain results valid for any potential. We finally give a physical interpretation of the deviation in terms of the initial system-reservoir coupling.
We consider the global thermal state of classical and quantum harmonic oscillators that interact with a reservoir. Ohmic damping of the oscillator can be exactly treated with a 1D scalar field reservoir, whereas general non-Ohmic damping is conveniently treated with a continuum reservoir of harmonic oscillators. Using the diagonalized Hamiltonian of the total system, we calculate a number of thermodynamic quantities for the damped oscillator: the mean force internal energy, mean force free energy, and another internal energy based on the free-oscillator Hamiltonian. The classical mean force energy is equal to that of a free oscillator, for both Ohmic and non-Ohmic damping no matter how strong the coupling to the reservoir. In contrast, the quantum mean force energy depends on the details of the damping and diverges for strictly Ohmic damping. These results give additional insight into the steady-state thermodynamics of open systems with arbitrarily strong coupling to a reservoir, complementing results for energies derived within dynamical approaches (e.g. master equations) in the weak-coupling regime.
We demonstrate the validity of Landauer's erasure principle in the strong coupling quantum regime by treating the system-reservoir interaction in a thermodynamic way. We show that the initial coupling to the reservoir modifies both the energy and the entropy of the system, and provide explicit expressions for the latter for a damped quantum harmonic oscillator. These contributions are related to the Hamiltonian of mean force and dominate in the strong damping limit. They need therefore to be fully taken into account in any low temperature thermodynamic analysis of quantum systems.
We analyse the properties of a strongly-damped quantum harmonic oscillator by means of an exact diagonalisation of the full Hamiltonian, including both the oscillator and the reservoir degrees of freedom to which it is coupled. Many of the properties of the oscillator, including its steady-state properties and entanglement with the reservoir can be understood and quantified in terms of a simple probability density, which we may associate with the ground-state frequency spectrum of the oscillator.
The prevailing method for addressing strong-coupling thermodynamics typically involves open quantum systems coupled to infinite baths in equilibrium through the Hamiltonian of mean force (HMF). However, its applicability to finite baths remains limited. In this work, we transcend this limit by considering the impacts of system-bath coupling which is not only on the system but also on the finite bath feedback. When the bath and system sizes are comparable, they act as each other's effective 'bath'. We introduce a parameter α within [0,1], where α and 1-α act as weighting factors to distribute the system-bath coupling between the system and the bath. Our approach innovatively incorporates the effect of coupling on the respective effective 'bath' into both the system and bath in the statistical factor form. We generalize the HMF and propose quantum Hamiltonians of mean forces to handle the distributed coupling of the system to finite baths. The additional parameter α is determined by minimizing the joint free energy density and is a new thermodynamic quantity representing the finite bath's influence. Examining the damped quantum harmonic oscillator with a finite bath, we find that α affects both states, leading to a complex phase diagram with unique phenomena at critical temperatures T_{L} and T_{R}, including valleys, peaks, negative values, and discontinuities in entropy and specific heat. Notably, these anomalies disappear when α→1, both at high temperatures and in the thermodynamic limit, indicating the negligible influence of coupling on the bath states and reverting to the HMF. Thus, studying finite-sized baths holds substantial significance in small quantum systems.
We consider a driven quantum harmonic oscillator strongly coupled to a heat bath. Starting from the exact quantum Langevin equation, we use a Green's function approach to determine the corresponding semiclassical equation for the Wigner phase space distribution. In the limit of high friction and high temperature, we apply Brinkman's method to derive the quantum Smoluchowski equation for the probability distribution in position space. We further determine the range of validity of the equation and discuss the special case of a Brownian parametric oscillator.
The quantum theory of a damped harmonic oscillator is developed by considering an exactly solvable model, previously discussed by Unruh and Zurek [Phys. Rev. D 40, 1071 (1989)]. A one-dimensional harmonic oscillator is coupled to a scalar field. The field is assumed to be initially in thermal equilibrium. The Heisenberg equations of motion are solved without approximation, and the first and second moments, 〈q(t)〉, 〈p(t)〉, 〈q2{\mathit{q}}^{2}q2(t)〉, 〈p2{\mathit{p}}^{2}p2(t)〉, and 〈q(t)p(t)+p(t)q(t)〉 of the coordinate and momentum of the oscillator are calculated. The high-temperature, zero-temperature, free-particle, and weak-damping limits are discussed. A Wigner function of Gaussian form is constructed. The density-matrix equation derived by Louisell $[---Quantum Statistical Properties of Radiation (Wiley, New York, 1973)] is examined and shown to have a solution in agreement with our weak-damping limit.