[HTML][HTML] Numerically “exact” approach to open quantum dynamics: The hierarchical equations of motion (HEOM)

Y Tanimura - The Journal of chemical physics, 2020 - pubs.aip.org
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 …

Efficient propagation of the hierarchical equations of motion using the Tucker and hierarchical Tucker tensors

Y Yan, M Xu, T Li, Q Shi - The Journal of Chemical Physics, 2021 - pubs.aip.org
We develop new methods to efficiently propagate the hierarchical equations of motion
(HEOM) by using the Tucker and hierarchical Tucker (HT) tensors to represent the reduced …

Efficient low-temperature simulations for fermionic reservoirs with the hierarchical equations of motion method: Application to the Anderson impurity model

X Dan, M Xu, JT Stockburger, J Ankerhold, Q Shi - Physical Review B, 2023 - APS
The hierarchical equations of motion (HEOM) approach is an accurate method to simulate
open system quantum dynamics, which allows for systematic convergence to numerically …

Efficient propagation of the hierarchical equations of motion using the matrix product state method

Q Shi, Y Xu, Y Yan, M Xu - The Journal of Chemical Physics, 2018 - pubs.aip.org
We apply the matrix product state (MPS) method to propagate the hierarchical equations of
motion (HEOM). It is shown that the MPS approximation works well in different type of …

Statistical quasi-particle theory for open quantum systems

HD Zhang, RX Xu, X Zheng, YJ Yan - Molecular Physics, 2018 - Taylor & Francis
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 …

Highly efficient and accurate sum-over-poles expansion of Fermi and Bose functions at near zero temperatures: Fano spectrum decomposition scheme

L Cui, HD Zhang, X Zheng, RX Xu… - The Journal of chemical …, 2019 - pubs.aip.org
The Fano spectrum decomposition (FSD) scheme is proposed as an efficient and accurate
sum-over-poles expansion of Fermi and Bose functions at cryogenic temperatures. The new …

[HTML][HTML] Recent advances in fermionic hierarchical equations of motion method for strongly correlated quantum impurity systems

J Cao, L Ye, R Xu, X Zheng, Y Yan - JUSTC, 2023 - justc.ustc.edu.cn
Investigations of strongly correlated quantum impurity systems (QIS), which exhibit
diversified novel and intriguing quantum phenomena, have become a highly concerning …

Hierarchical quantum master equation approach to electronic-vibrational coupling in nonequilibrium transport through nanosystems: Reservoir formulation and …

C Schinabeck, R Härtle, M Thoss - Physical Review B, 2018 - APS
We present a hierarchical quantum master equation (HQME) approach which provides a
numerically exact description of nonequilibrium charge transport in nanosystems with …

Current-induced dissociation in molecular junctions beyond the paradigm of vibrational heating: The role of antibonding electronic states

A Erpenbeck, Y Ke, U Peskin, M Thoss - Physical Review B, 2020 - APS
The interaction between electronic and nuclear degrees of freedom in single-molecule
junctions is an essential mechanism, which may result in the current-induced rupture of …

Generalized master equation for charge transport in a molecular junction: Exact memory kernels and their high order expansion

X Dan, M Xu, Y Yan, Q Shi - The Journal of Chemical Physics, 2022 - pubs.aip.org
We derive a set of generalized master equations (GMEs) to study charge transport dynamics
in molecular junctions using the Nakajima–Zwanzig–Mori projection operator approach. In …