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YiJing Yan

Publications and source records attributed to YiJing Yan.

At least 19 recordsLinked to original sources

Error Propagation Theory for Variational Non-Markovian Open Quantum Dynamics

Variational approaches based on neural quantum states and physics-informed neural networks provide powerful paradigms for simulating non-Markovian open quantum dynamics. However, extending these methods into the strongly non-Markovian regime reveals a critical bottleneck: even minute errors in the time evolution can translate into substantial deviations in physical observables. The fundamental origin of this stringent precision requirement, as well as how non-Markovianity governs it, remains an open question. Here, we develop a theoretical framework that systematically characterizes error propagation in variational non-Markovian dynamics. By combining analytical derivations with numerical verification, we present the first quantitative description of variational error evolution over time. Our analysis uncovers an intrinsic error-backflow mechanism driven by long-lived environmental memory. This mechanism establishes a fundamental precision barrier and provides concrete guidance for designing robust variational algorithms for strongly non-Markovian quantum systems.

quant-ph

Local thermal probe in a one-dimensional chain: An efficient dissipaton-based approach

We study a system consisting of an infinite one-dimensional molecular chain and a locally coupled probe. Starting from the Hamiltonian of the chain-probe composite and the corresponding spectral densities, we evaluate the heat current between the probe and the chain. For this purpose, we develop a dissipaton-based quantum approach that is fully nonperturbative and non-Markovian. The dissipaton algebra yields a set of hierarchically coupled equations of motion for the dissipaton moments, with cross-tier connections in an iterative manner if higher-order chain-probe interactions are included. Numerical results demonstrate the effects of temperature, frequency, onsite energy modification and higher-order couplings on heat transport. This work provides a general framework for thermal transport and other properties in locally probed systems and can be straightforwardly extended to higher-dimensional materials and electronic transport problems with strong many-body effects.

physics.chem-ph

Simulating non-Markovian open quantum dynamics by exploiting physics-informed neural network

This work integrates the physics-informed neural network (PINN) approach into the neural quantum state framework to simulate open quantum system dynamics, to circumvent the computationally expensive time-dependent variational principle required in conventional variational methods. The proposed PINN-DQME method employs time-encoded neural networks within a time-domain decomposition strategy to represent the evolution governed by the dissipaton-embedded quantum master equation (DQME). We implement and validate this approach in the single-impurity Anderson model, benchmarking the PINN-DQME results against the numerically exact hierarchical equations of motion. The PINN-DQME method demonstrates high accuracy in simulating quantum dissipative dynamics at high temperatures, where non-Markovian effects are weak. However, for strongly non-Markovian dynamics at low temperatures, it encounters challenges with error accumulation during time propagation, highlighting an area for future refinement in applying PINNs to complex quantum dynamical settings.

quant-ph

Extended dissipaton theory for higher-order bath couplings and application to non-Condon spectroscopy with anharmonicity

In this work, we develop an extended dissipaton theory that generalizes the environmental couplings beyond the conventional linear and quadratic forms, enabling the treatment of arbitrary order of bath couplings. Applying this theoretical framework to the condensed-phase non-Condon spectroscopy, we demonstrate the interplay of anharmonicity, non-Condon and solvent effects on optical spectra. Precise simulations are carried out with high efficiency on linear absorption spectra involving the above mentioned correlated effects. We exhibit how an anharmonic potential modulates the vibronic feature, offering insights into the role of nonlinear environmental couplings in spectroscopic signatures and exemplifying the success of the extended dissipaton formalism as an exact and efficient method for higher-order bath couplings.

physics.chem-ph

The Phase-Coupled Caldeira-Leggett Model: Non-Markovian Open Quantum Dynamics beyond Linear Dissipation

We introduce the \textit{Phase-Coupled Caldeira-Leggett} (PCL) model of quantum dissipation and develop an exact framework for its dynamics. Unlike the conventional Caldeira-Leggett model with linear system-bath coupling $H_{\mathrm{SB}}\propto\hat F$, the PCL model features an exponential interaction $H_{\mathrm{SB}}\propto e^{i\lambda \hat F}$, where $\hat F$ denotes the collective bath coordinate. This model unifies concepts from quantum Brownian motion and polaron physics, providing a general platform to study phase-mediated dissipation and decoherence beyond the linear-response regime. Despite its nonlinear system-bath coupling, the Gaussian nature of the environment allows a nonperturbative and non-Markovian treatment of PCL model within the algebra of dissipative quasiparticles. We obtain an exact closed-form equation of motion for the reduced density operator, and numerical simulations reveal distinctive dynamical behaviors that deviate markedly from those predicted by the conventional Caldeira-Leggett model.

quant-ph

Correlated vibration-solvent and Duschinsky effects on electron transfer dynamics and optical spectroscopy

Understanding the effects of vibrations in electron transfer (ET) dynamics and optical spectroscopies is essential to precisely interpret the role of decoherence, especially for systems embedded in solvents. In this work, we study the correlated Duschinsky and solvent effects on ET and spectroscopy. Exploited is a novel extended dissipaton-equation-of motion (ext-DEOM) approach, which is an exact and non-Markovian, non-perturbative method for quadratic system-bath couplings. The unified bath description, in terms of multiple Brownian oscillators (BOs), comprises the solvent modes and also intramolecular vibrations. Both ET dynamics and spectroscopy show the complex interplay among linear displacements, frequency shifts, Duschinsky rotations and solvent-induced BO-mode correlations. The reduced ET system density operator evolution is further analyzed in the context of Bloch sphere representation that is basis-set independent due to its geometric nature.

physics.chem-ph

Extended dissipaton theory with application to adatom-graphene composite

In this paper, we present the extended dissipaton theory, including the dissipaton-equation-of-motion formalism and the equivalent dissipaton-embedded quantum master equation. These are exact, non-Markovian, and non-perturbative theories, capable of handling not only linear but also quadratic environmental couplings. These scenarios are prevalent in a variety of strongly correlated electronic systems, including mesoscopic nanodevices and superconductors. As a demonstration, we apply the present theory to simulate the spectral functions of an adatom on a graphene substrate. We analyze the spectral peaks in the presence of the graphene substrate and compare them to those obtained in conventional metal environments. The adatom's spectral functions reveal intricate behaviors arising from the band structure of graphene.

cond-mat.mes-hall

Stability of Quantum Systems beyond Canonical Typicality

Involvement of the environment is indispensable for establishing the statistical distribution of system. We analyze the statistical distribution of a quantum system coupled strongly with a heat bath. This distribution is determined by tracing over the bath's degrees of freedom for the equilibrium system-plus-bath composite. The stability of system distribution is largely affected by the system--bath interaction strength. We propose that the quantum system exhibits a stable distribution only when its system response function in the frequency domain satisfies $\tildeχ(ω= 0+)>0$. We show our results by investigating the non-interacting bosonic impurity system from both the thermodynamic and dynamic perspectives. Our study refines the theoretical framework of canonical statistics, offering insights into thermodynamic phenomena in small-scale systems.

quant-ph

Simulating Non-Markovian Open Quantum Dynamics with Neural Quantum States

Reducing computational scaling for simulating non-Markovian dissipative dynamics using artificial neural networks is both a major focus and formidable challenge in open quantum systems. To enable neural quantum states (NQSs), we encode environmental memory in dissipatons (quasiparticles with characteristic lifetimes), yielding the dissipaton-embedded quantum master equation (DQME). The resulting NQS-DQME framework achieves compact representation of many-body correlations and non-Markovian memory. Benchmarking against numerically exact hierarchical equations of motion confirms NQS-DQME maintains comparable accuracy while enhancing scalability and interpretability. This methodology opens new paths to explore non-Markovian open quantum dynamics in previously intractable systems.

quant-ph

Quantum Mechanics of Open Systems in Non-Inertial Motion

The study of quantum mechanics in non-inertial reference frames, particularly in the context of open systems, introduces several intriguing phenomena and challenges. This paper presents a comprehensive framework for analyzing the quantum mechanics of open systems undergoing noninertial motion. Our methodology leverages the concept of dissipatons, statistical quasi-particles that capture collective dissipative effects from the environment. We demonstrate that our approach offers a natural understanding of the intricate dynamics among non-inertial effects, decoherence, dissipation, and system-bath entanglement. Specifically, we conduct demonstrations focusing on the Lamb shift phenomenon within a rotating ring cavity. Through theoretical exposition and practical applications, our framework elucidates the profound interplay between open quantum dynamics and non-inertial motion, paving the way for advancements in quantum information processing and sensing technologies.

quant-ph

Towards Quantum Simulation of Non-Markovian Open Quantum Dynamics: A Universal and Compact Theory

Non-Markovianity, the intricate dependence of an open quantum system on its temporal evolution history, holds tremendous implications across various scientific disciplines. However, accurately characterizing the complex non-Markovian effects has posed a formidable challenge for numerical simulations. While quantum computing technologies show promise, a universal theory enabling practical quantum algorithm implementation has been elusive. We address this gap by introducing the dissipaton-embedded quantum master equation in second quantization (DQME-SQ). This exact and compact theory offers two key advantages: representability by quantum circuits and universal applicability to any Gaussian environment. We demonstrate these capabilities through digital quantum simulations of non-Markovian dissipative dynamics in both bosonic and fermionic environments. The DQME-SQ framework opens a new horizon for the efficient exploration of complex open quantum systems by leveraging the rapidly advancing quantum computing technologies.

quant-ph

Extended system-bath entanglement theorem for multiple bosonic or fermionic environments

The system-bath entanglement theorem (SBET) was established in terms of linear response functions [J. Chem. Phys. 152, 034102 (2020)] and generalized to correlation functions [arXiv: 2312.13618 (2023)] in our previous works. This theorem connects the entangled system-bath properties to the local system and bare bath ones. In this work, firstly we extend the SBET to field-dressed conditions with multiple bosonic Gaussian environments at different temperatures. Not only the system but also environments are considered to be of optical polarizability, as in reality. With the aid of the extended SBET developed here, for the evaluation of the nonlinear spectroscopy such as the pump-probe, the entangled system-bath contributions can be obtained upon reduced system evolutions via certain quantum dissipative methods. The extended SBET in the field-free condition and its counterpart in the classical limit is also presented. The SBET for fermionic environments is elaborated within the transport scenarios for completeness.

quant-ph

HEOM-QUICK2: a general-purpose simulator for fermionic many-body open quantum systems -- An Update

Many-body open quantum systems (OQS) have a profound impact on various subdisciplines of physics, chemistry, and biology. Thus, the development of a computer program capable of accurately, efficiently, and versatilely simulating many-body OQS is highly desirable. In recent years, we have focused on the advancement of numerical algorithms based on the fermionic hierarchical equations of motion (HEOM) theory. Being in-principle exact, this approach allows for the precise characterization of many-body correlations, non-Markovian memory, and non-equilibrium thermodynamic conditions. These efforts now lead to the establishment of a new computer program, HEOM for QUantum Impurity with a Correlated Kernel, version 2 (HEOM-QUICK2), which, to the best of our knowledge, is currently the only general-purpose simulator for fermionic many-body OQS. Compared with version 1, the HEOM-QUICK2 program features more efficient solvers for stationary states, more accurate treatment of non-Markovian memory, and improved numerical stability for long-time dissipative dynamics. Integrated with quantum chemistry software, HEOM-QUICK2 has become a valuable theoretical tool for the precise simulation of realistic many-body OQS, particularly the single atomic or molecular junctions. Furthermore, the unprecedented precision achieved by HEOM-QUICK2 enables accurate simulation of low-energy spin excitations and coherent spin relaxation. The unique usefulness of HEOM-QUICK2 is demonstrated through several examples of strongly correlated quantum impurity systems under non-equilibrium conditions. Thus, the new HEOM-QUICK2 program offers a powerful and comprehensive tool for studying many-body OQS with exotic quantum phenomena and exploring applications in various disciplines.

cond-mat.str-el

Generalized system-bath entanglement theorem for Gaussian environments

A system-bath entanglement theorem (SBET) with Gaussian environments was established previously in J. Chem. Phys. 152, 034102 (2020) in terms of linear response functions. This theorem connects the system-bath entanglement responses to the local system and bare bath ones. In this work, we generalize it to correlation functions. Key steps in derivation are the generalized Langevin dynamics for the hybridizing bath modes as in the previous work, together with the Bogoliubov transformation mapping the original finite-temperature canonical reservoir to an effective zero-temperature vacuum via an auxiliary bath. With the theorem, the system-bath entangled correlations and the bath modes correlations in the full composite space can be evaluated as long as the bare-bath statistical properties are known and the reduced system correlations are obtained. Numerical demonstrations are carried out for the evaluation of the solvation free energy of an electron transfer system with a certain intramolecular vibrational modes.

quant-ph

Extended dissipaton equation of motion for electronic open quantum systems: Application to the Kondo impurity model

In this paper, we present an extended dissipaton equation of motion for studying the dynamics of electronic impurity systems. Compared with the original theoretical formalism, the quadratic couplings are introduced into the Hamiltonian accounting for the interaction between the impurity and its surrounding environment. By exploiting the quadratic fermionic dissipaton algebra, the proposed extended dissipaton equation of motion offers a powerful tool for studying the dynamical behaviors of electronic impurity systems, particularly in situations where nonequilibrium and strongly correlated effects play significant roles. Numerical demonstrations are carried out to investigate the temperature dependence of the Kondo resonance in the Kondo impurity model.

cond-mat.str-el

Multimode Brownian oscillators: Exact solutions to heat transport

In this work, we investigate the multimode Brownian oscillators in nonequilibrium scenarios with multiple reservoirs at different temperatures. For this purpose, an algebraic method is proposed. This approach gives the exact time-local equation of motion for reduced density operator, from which we can easily extract not only the reduced system but also hybrid bath dynamical information. The resulted steady-state heat current is found numerically consistent with another discrete imaginary-frequency method followed by the Meir-Wingreen's formula. It is anticipated that the development in this work would constitute an indispensable component to nonequilibrium statistical mechanics for open quantum systems.

cond-mat.stat-mech

Kondo regime of the impurity spectral function and the current noise spectrum in the double impurity Anderson model

The dissipaton equations of motion (DEOM) method is one of the most popular methods for simulating quantum impurity systems. In this article, we use DOEM theory to deal with the Kondo problem of the double quantum dots (DQDs) impurity system. We focus on the impurity spectral function and the total noise spectral function, this two function will be used to describe the Kondo effect of this system. The influence of the interaction, the hooping and the difference of the chemical potential between the two dots on the Kondo effect of the system is studied. We find that the interaction between the two dots can influence the Kondo effect of the system a lot.

quant-ph

Dissipatons as generalized Brownian particles for open quantum systems: Dissipaton-embedded quantum master equation

Dissipaton theory had been proposed as an exact and nonperturbative approach to deal with open quantum system dynamics, where the influence of Gaussian environment is characterized by statistical quasi-particles named as dissipatons. In this work, we revisit the dissipaton equation of motion theory and establish an equivalent dissipatons-embedded quantum master equation (DQME), which gives rise to dissipatons as generalized Brownian particles. As explained in this work, the DQME supplies a direct approach to investigate the statistical characteristics of dissipatons and thus the physically supporting hybrid bath modes. Numerical demonstrations are carried out on the electron transfer model, exhibiting the transient statistical properties of the solvation coordinate.

quant-ph