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arXiv:2108.10013 · The Journal of Chemical Physics

Quantum dissipation with nonlinear environment couplings: Stochastic fields dressed dissipaton equation of motion approach

Zi‐Hao Chen, Yao Wang, Rui‐Xue Xu, YiJing Yan

Published Nov 2, 2021• 8 citations
arXivHTMLPDF

Abstract

Accurate and efficient simulation on quantum dissipation with nonlinear environment couplings remains a challenging task nowadays. In this work, we propose to incorporate the stochastic fields, which resolve just the nonlinear environment coupling terms, into the dissipaton-equation-of-motion (DEOM) construction. The stochastic fields are introduced via the Hubbard-Stratonovich transformation. After the transformation, the resulted stochastic-fields-dressed (SFD) total Hamiltonian contains only linear environment coupling terms. On the basis of that, SFD-DEOM can then be constructed. The resultant SFD-DEOM, together with the ensemble average over the stochastic fields, constitutes an exact and nonperturbative approach to quantum dissipation under nonlinear environment couplings. It is also of relatively high efficiency and stability due to the fact that only nonlinear environment coupling terms are dealt with stochastic fields, while linear couplings are still treated as the usual DEOM. Numerical performance and demonstrations are presented with a two-state model system.

DOI
10.1063/5.0067880

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Accurate and efficient simulation on quantum dissipation with nonlinear environment couplings remains a challenging task nowadays. In this work, we propose to incorporate the stochastic fields, which resolve just the nonlinear environment coupling terms, into the dissipaton-equation-of-motion (DEOM) construction. The stochastic fields are introduced via the Hubbard-Stratonovich transformation. After the transformation, the resulted stochastic-fields-dressed (SFD) total Hamiltonian contains only linear environment coupling terms. On the basis of that, SFD-DEOM can then be constructed. The resultant SFD-DEOM, together with the ensemble average over the stochastic fields, constitutes an exact and nonperturbative approach to quantum dissipation under nonlinear environment couplings. It is also of relatively high efficiency and stability due to the fact that only nonlinear environment coupling terms are dealt with stochastic fields, while linear couplings are still treated as the usual DEOM. Numerical performance and demonstrations are presented with a two-state model system.
The quest of exact and nonperturbative methods on quantum dissipation with nonlinear coupling environments remains in general a great challenge. In this review we present a comprehensive account on two approaches to the entangled system-and-environment dynamics, in the presence of linear-plus-quadratic coupling bath. One is the dissipaton-equation-of-motion (DEOM) theory that has been extended recently to treat the nonlinear coupling environment. Another is the extended Fokker-Planck quantum master equation (FP-QME) approach that will be constructed in this work, based on its DEOM correspondence. We closely compare these two approaches, with the focus on the underlying quasi-particle picture, physical implications, and implementations.
The quest of an exact and nonperturbative treatment of quantum dissipation in nonlinear coupling environments remains in general an intractable task. In this work, we address the key issues toward the solutions to the lowest nonlinear environment, a harmonic bath coupled both linearly and quadratically with an arbitrary system. To determine the bath coupling descriptors, we propose a physical mapping scheme, together with the prescription reference invariance requirement. We then adopt a recently developed dissipaton equation of motion theory [R. X. Xu et al., Chin. J. Chem. Phys. 30, 395 (2017)], with the underlying statistical quasi-particle ("dissipaton") algebra being extended to the quadratic bath coupling. We report the numerical results on a two-level system dynamics and absorption and emission line shapes.
This paper presents a comprehensive account of the dissipaton-equation-of-motion (DEOM) theory for open quantum systems. This newly developed theory treats not only the quantum dissipative systems of primary interest, but also the hybrid environment dynamics that are also experimentally measurable. Despite the fact that DEOM recovers the celebrated hierarchical-equations-of-motion (HEOM) formalism, these two approaches have some fundamental differences. To show these differences, we also scrutinize the HEOM construction via its root at the influence functional path integral formalism. We conclude that many unique features of DEOM are beyond the reach of the HEOM framework. The new DEOM approach renders a statistical quasi-particle picture to account for the environment, which can be either bosonic or fermionic. The review covers the DEOM construction, the physical meanings of dynamical variables, the underlying theorems and dissipaton algebra, and recent numerical advancements for efficient DEOM evaluations of various problems. We also address the issue of high-order many-dissipaton truncations with respect to the invariance principle of quantum mechanics of Schrödinger versus Heisenberg prescriptions. DEOM serves as a universal tool for characterizing of stationary and dynamic properties of system-and-bath interferences, as highlighted with its real-time evaluation of both linear and nonlinear current noise spectra of nonequilibrium electronic transport.
This paper presents a comprehensive account on the recently developed dissipaton–equation–of–motion (DEOM) theory. This is a statistical quasi-particle theory for quantum dissipative dynamics. It accurately describes the influence of bulk environments, with a few number of quasi-particles, the dissipatons. The novel dissipaton algebra is then followed, which readily bridges the Schrödinger equation to the DEOM theory. As a fundamental theory of quantum mechanics in open systems, DEOM characterizes both the stationary and dynamic properties of system–and–bath interferences. It treats not only the quantum dissipative systems of primary interest, but also the hybrid environment dynamics that could be experimentally measurable. Examples are the linear or nonlinear Fano interferences and the Herzberg–Teller vibronic couplings in optical spectroscopies. This review covers the DEOM construction, the underlying dissipaton algebra and theorems, the physical meanings of dynamical variables, the possible identifications of dissipatons, and some recent advancements in efficient DEOM evaluations on various problems. The relations of the present theory to other nonperturbative methods are also critically presented.
We investigate the quantum dynamics of a spin coupling to a bath of independent spins via the dissipaton equation of motion (DEOM) approach. The bath, characterized by a continuous spectral density function, is composed of spins that are independent level systems described by the su(2) Lie algebra, representing an environment with a large magnitude of anharmonicity. Based on the previous work by Suarez and Silbey [J. Chem. Phys. 95, 9115 (1991)] and by Makri [J. Chem. Phys. 111, 6164 (1999)] that the spin bath can be mapped to a Gaussian environment under its linear response limit, we use the time-domain Prony fitting decomposition scheme to the bare-bath time correlation function (TCF) given by the bosonic fluctuation-dissipation theorem to generate the exponential decay basis (or pseudo modes) for DEOM construction. The accuracy and efficiency of this strategy have been explored by a variety of numerical results. We envision that this work provides new insights into extending the hierarchical equations of motion and DEOM approach to certain types of anharmonic environments with arbitrary TCF or spectral density.
Building upon the work of Hu, Paz, and Zhang [1,2] on open quantum systems we consider the quantum Brownian motion (QBM) model with one oscillator (position variable xxx) as the system, {\it nonlinearly} coupled to an environment of NNN harmonic oscillators (with mass mnm_nmn​, natural frequency ωnω_nωn​, position qnq_nqn​ and momentum pnp_npn​ variables) in the form ∑n(vn1(x)qnk+vn2(x)pnl)\sum_{n}\left(v_{n1}(x)q_{n}^{k}+v_{n2}(x)p_{n}^{l}\right)∑n​(vn1​(x)qnk​+vn2​(x)pnl​) where k,lk, lk,l are integers (the present work only considers the k=l=2k=l=2k=l=2 cases). The vertex functions $v_{n1}, v_{n2} $ are of the form vn1=λCn1f(x),vn2(x)=−λ Cn2mn−2ωn−2f(x)v_{n1}=λC_{n1} f(x), v_{n2}(x)=-λ\,C_{n2}m_{n}^{-2}ω_{n}^{-2}f(x)vn1​=λCn1​f(x),vn2​(x)=−λCn2​mn−2​ωn−2​f(x) where Cn1,2C_{n1,2}Cn1,2​ are the coupling constants with the nnnth oscillator, f(x)f(x)f(x) is any arbitrary function of xxx, and λλλ is a dimensionless constant. Employing the closed-time-path formalism the influence action SIFS_{IF}SIF​ is calculated using a perturbative expansion in λλλ. It is possible to identify the terms in SIFS_{IF}SIF​ quadratic or higher in Δ(s)≡f(x+(s))−f(x−(s))Δ(s)\equiv f(x_{+}(s))-f(x_{-}(s))Δ(s)≡f(x+​(s))−f(x−​(s)) to constitute the noise kernel, while terms linear in ΔΔΔ to that of the dissipation kernel. The non-Gaussian noise kernel gives rise to non-zero three-point correlation function of the corresponding stochastic force. The pathway presented here should be useful for the exploration of \textit{non-Gaussian properties of systems nonlinearly coupled with their environments}; examples in early universe cosmology and in quantum optomechanics (QOM) are mentioned. A modified fluctuation-dissipation relation (FDR) is also established, which ensures the consistency of the model and the accuracy of results even at higher perturbative orders. Another result of significance is the derivation of a nonlinear Langevin equation which is expected to be useful for many open quantum system applications.