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Physical Review B

Quantum-classical transition and decoherence in dissipative double-well potential systems: Monte Carlo algorithm

Takeshi Matsuo, Yusuke Natsume, Takeo Kato

Published May 20, 2008• 2 citations
Publisher

Abstract

Localization transition and coherent-incoherent crossover in dissipative double-well potential systems are studied by the path-integral Monte Carlo method. By using an improved Monte Carlo algorithm developed by the authors, we determine a critical dissipation strength of localization transition for Ohmic damping by utilizing finite-size scaling analysis of the Kosterlitz--Thouless transition. We also determine a coherent-incoherent crossover by the disappearance of a peak in dynamical response functions. The obtained phase diagram indicates that both localization and coherent-incoherent crossover occur even for the small-barrier limit, where the system cannot be truncated to a two-state model.

DOI
10.1103/physrevb.77.184304

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Localization transition and coherent-incoherent crossover in dissipative double-well potential systems are studied by the path-integral Monte Carlo method. By using an improved Monte Carlo algorithm developed by the authors, we determine a critical dissipation strength of localization transition for Ohmic damping by utilizing finite-size scaling analysis of the Kosterlitz--Thouless transition. We also determine a coherent-incoherent crossover by the disappearance of a peak in dynamical response functions. The obtained phase diagram indicates that both localization and coherent-incoherent crossover occur even for the small-barrier limit, where the system cannot be truncated to a two-state model.
The discrete time path integral Monte Carlo with a one-particle density matrix approximation is applied to study the quantum phase transition in the coupled double-well chain. To improve the convergence properties, the exact action for a single particle in a double-well potential is used to construct the many-particle action. The algorithm is applied to the interacting quantum double-well chain for which the zero-temperature phase diagram is determined. The quantum phase transition is studied via finite-size scaling, and the critical exponents are shown to be compatible with the classical two-dimensional Ising universality class--not only in the order-disorder limit (deep potential wells), but also in the displacive regime (shallow potential wells).
Earlier Monte Carlo calculations on the dissipative two-dimensional XY model are extended in several directions. We study the phase diagram and the correlation functions when dissipation is very small, where it has properties of the classical 3D-XY transition, i.e., one with a dynamical critical exponent z=1z=1z=1. The transition changes from z=1z=1z=1 to the class of criticality with $z\ensuremath{\rightarrow}\ensuremath{\infty}$ driven by topological defects, discovered earlier, beyond a critical dissipation. We also find that the critical correlations have power-law singularities as a function of tuning the ratio of the kinetic energy to the potential energy for fixed large dissipation, as opposed to essential singularities on tuning dissipation keeping the former fixed. A phase with temporal disorder but spatial order of the Kosterlitz-Thouless form is also further investigated. We also present results for the transition when the allowed Caldeira-Leggett form of dissipation and the allowed form of dissipation coupling to the compact rotor variables are both included. The nature of the transition is then determined by the Caldeira-Leggett form.
We study the dissipative quantum dynamics and the asymptotic behavior of a particle in a bistable potential interacting with a sub-Ohmic broadband environment. The reduced dynamics, in the intermediate to strong dissipation regime, is obtained beyond the two-level system approximation by using a real-time path integral approach. We find a crossover dynamic regime with damped intra-well oscillations and incoherent tunneling and a completely incoherent regime at strong damping. Moreover, a nonmonotonic behavior of the left/right well population difference is found as a function of the damping strength.
The decoherence of a two-state system coupled with a sub-Ohmic bath is investigated theoretically by means of the perturbation approach based on a unitary transformation. It is shown that the decoherence depends strongly and sensitively on the structure of environment. Nonadiabatic effect is treated through the introduction of a function ${\ensuremath{\xi}}_{k}$ which depends on the boson frequency and renormalized tunneling. The results are as follows: (i) the nonequilibrium correlation function P(t)P(t)P(t), the dynamical susceptibility ${\ensuremath{\chi}}^{\ensuremath{''}}(\ensuremath{\omega})$, and the equilibrium correlation function C(t)C(t)C(t) are analytically obtained for $s\ensuremath{\leqslant}1$; (ii) the phase diagram of thermodynamic transition shows the delocalized-localized transition point ${\ensuremath{\alpha}}_{l}$ which agrees with exact results and numerical data from the numerical renormalization group; (iii) the dynamical transition point ${\ensuremath{\alpha}}_{c}$ between coherent and incoherent phase is explicitly given. A crossover from the coherent oscillation to incoherent relaxation appears with increasing coupling (for $\ensuremath{\alpha}>{\ensuremath{\alpha}}_{c}$, the coherent dynamics disappear); (iv) the Shiba's relation and sum rule are exactly satisfied when $\ensuremath{\alpha}\ensuremath{\leqslant}{\ensuremath{\alpha}}_{c}$; (v) an underdamping-overdamping transition point ${\ensuremath{\alpha}}_{c}^{*}$ exists in the function $S(\ensuremath{\omega})$. Consequently, the dynamical phase diagrams in both ohmic and sub-Ohmic case are mapped out. For $\ensuremath{\Delta}⪡{\ensuremath{\omega}}_{c}$, the critical couplings (${\ensuremath{\alpha}}_{l},{\ensuremath{\alpha}}_{c}$, and ${\ensuremath{\alpha}}_{c}^{*}$) are proportional to ${\ensuremath{\Delta}}^{1\ensuremath{-}s}$.
We investigate the equilibrium properties of a quantum Brownian particle moving in a periodic potential, specifically addressing the nature of the dissipation-driven Schmid transition in the Ohmic regime. By employing World-Line Monte Carlo in the path-integral formalism and introducing a specific binary order parameter, we demonstrate that the transition belongs to the Berezinskii-Kosterlitz-Thouless universality class. This classification is substantiated through finite-size scaling analysis that reveals the characteristic logarithmic decay of the correlation functions associated with the order parameter at the critical point. Quantum phase transition turns out to be extremely fragile: it disappears in both over- and sub-Ohmic dissipation regimes. Crucially, we find that the presence of the periodic potential does not alter the localization properties in the sub-Ohmic and super-Ohmic regimes, where the system exhibits the same qualitative behavior as the free quantum Brownian particle. These findings highlight that the emergence of critical behavior is strictly governed by the low-frequency form of the environmental spectral function, which determines the long-range temporal decay of the dissipative kernel.
The quantum dynamics of a two-state system coupled to a bosonic reservoir with sub-Ohmic spectral density is investigated for strong friction. Numerically exact path integral Monte Carlo methods reveal that a changeover from coherent to incoherent relaxation does not occur for a broad class of spectral distributions. In nonequilibrium coherences associated with substantial system-reservoir entanglement exist even when strong dissipation forces the thermodynamic state of the system to behave almost classically. This may be of relevance for current experiments with nanoscale devices.