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The hierarchical equations of motion (HEOM) for a generalized quantum dissipative system is rigorously constructed in the frameworks of two different stochastic dynamical descriptions, i.e., the non-Markovian quantum state diffusion…

Quantum Physics · Physics 2018-07-18 Wei Wu

The theory of hierarchical equations of motion (HEOM) is one of the standard methods to give exact evaluations of the dynamics as coupled to harmonic oscillator environments. However, the theory is numerically demanding due to its…

Chemical Physics · Physics 2022-05-31 Tatsushi Ikeda , Akira Nakayama

An open quantum system refers to a system that is further coupled to a bath system consisting of surrounding radiation fields, atoms, molecules, or proteins. The bath system is typically modeled by an infinite number of harmonic…

Chemical Physics · Physics 2020-07-10 Yoshitaka Tanimura

The hierarchical equations of motion (HEOM) provide a numerically exact approach for computing the reduced dynamics of a quantum system linearly coupled to a bath. We have found that HEOM contains temperature-dependent instabilities that…

Chemical Physics · Physics 2019-05-13 Ian S. Dunn , Roel Tempelaar , David R. Reichman

We present a theoretical framework to investigate quantum thermodynamic processes under non-Markovian system-bath interactions on the basis of the hierarchical equations of motion (HEOM) approach, which is convenient to carry out…

Quantum Physics · Physics 2019-05-01 Akihito Kato , Yoshitaka Tanimura

Excitonic models of light-harvesting complexes, where the vibrational degrees of freedom are treated as a bath, are commonly used to describe the motion of the electronic excitation through a molecule. Recent experiments point toward the…

Quantum Physics · Physics 2011-07-19 Christoph Kreisbeck , Tobias Kramer , Mirta Rodriguez , Birgit Hein

The hierarchical equations of motion technique has found widespread success as a tool to generate the numerically exact dynamics of non-Markovian open quantum systems. However, its application to low temperature environments remains a…

Chemical Physics · Physics 2013-10-15 Jeremy M. Moix , Jianshu Cao

The hierarchical equations of motion (HEOM) theory is one of the standard methods to rigorously describe open quantum dynamics coupled to harmonic environments. Such a model is used to capture non-Markovian and non-perturbative effects of…

Chemical Physics · Physics 2020-06-02 Tatsushi Ikeda , Gregory D. Scholes

One of the approaches used to solve for the dynamics of open quantum systems is the hierarchical equations of motion (HEOM). Although it is numerically exact, this method requires immense computational resources to solve. The objective here…

Quantum Physics · Physics 2022-10-28 Kimara Naicker , Ilya Sinayskiy , Francesco Petruccione

For a system strongly coupled to a heat bath, the quantum coherence of the system and the heat bath plays an important role in the system dynamics. This is particularly true in the case of non-Markovian noise. We rigorously investigate the…

Statistical Mechanics · Physics 2015-02-16 Yoshitaka Tanimura

The time evolution in open quantum systems, such as a molecular aggregate in contact with a thermal bath, still poses a complex and challenging problem. The influence of the thermal noise can be treated using a plethora of schemes, several…

Chemical Physics · Physics 2019-07-24 Hasan Rahman , Ulrich Kleinekathoefer

Dissipaton-equation-of-motion (DEOM) theory [Y. J. Yan, J. Chem. Phys. 140, 054105 (2014)] is an exact and nonperturbative many-particle method for open quantum systems. The existing dissipaton algebra treats also the dynamics of hybrid…

Chemical Physics · Physics 2020-01-24 Yao Wang , Rui-Xue Xu , YiJing Yan

The hierarchical equations of motion (HEOM) approach is an accurate method to simulate open system quantum dynamics, which allows for systematic convergence to numerically exact results. To represent the effects of the bath, the reservoir…

Strongly Correlated Electrons · Physics 2023-05-31 Xiaohan Dan , Meng Xu , J. T. Stockburger , J. Ankerhold , Qiang Shi

An iterative approach is introduced, which allows the efficient solution of the hierarchical equations of motion (HEOM) for the steady state of open quantum systems. The approach combines the method of matrix equations with an efficient…

Mesoscale and Nanoscale Physics · Physics 2021-07-15 Christoph Kaspar , Michael Thoss

We derive an extended version of the hierarchical equations of motion (HEOM) to compute output physical properties of a bosonic environment, which is allowed to be initially prepared at an earlier time in a non-Gaussian input state and then…

Quantum Physics · Physics 2025-08-15 Mauro Cirio , Pengfei Liang , Neill Lambert

We derive the formula of energy flux for the hierarchical equations of motion (HEOM) method with the help of stochastic decoupling technique. The resulting expression is a combination of the terms in the first two layers of the hierarchy.…

Statistical Mechanics · Physics 2019-04-30 Yun Zhou , Tie-Jun Xiao , Jun Cao , Yun-An Yan

Molecular vibrations in solutions, especially OH stretching and bending in water, drive ultrafast energy relaxation and dephasing in chemical and biological systems. We present a machine learning approach for constructing system-bath models…

Chemical Physics · Physics 2026-03-18 Kwanghee Park , Ju-Yeon Jo , Yoshitaka Tanimura

In this paper, two developments, the theory of hierarchical equations of motion (HEOM) for open quantum dynamics systems and the theory of ultrafast nonlinear two-dimensional (2D) spectroscopies, are described, following the history of…

Chemical Physics · Physics 2021-11-12 Yoshitaka Tanimura

A well-known approach to describe the dynamics of an open quantum system is to compute the master equation evolving the reduced density matrix of the system. This approach plays an important role in describing excitation transfer through…

Quantum Physics · Physics 2022-10-25 Kimara Naicker , Ilya Sinayskiy , Francesco Petruccione

Time- and frequency resolved optical signals provide insights into the properties of light harvesting molecular complexes, including excitation energies, dipole strengths and orientations, as well as in the exciton energy flow through the…

Chemical Physics · Physics 2018-06-15 Tobias Kramer , Matthias Noack , Alexander Reinefeld , Mirta Rodriguez , Yaroslav Zelinskyy
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