[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 …

HEOM‐QUICK2: A general‐purpose simulator for fermionic many‐body open quantum systems—An update

D Zhang, L Ye, J Cao, Y Wang, RX Xu… - Wiley …, 2024 - Wiley Online Library
Many‐body open quantum systems (OQSs) have a profound impact on various
subdisciplines of physics, chemistry, and biology. Thus, the development of a computer …

Resonance theory and quantum dynamics simulations of vibrational polariton chemistry

W Ying, P Huo - The Journal of Chemical Physics, 2023 - pubs.aip.org
We present numerically exact quantum dynamics simulations using the hierarchical
equation of motion approach to investigate the resonance enhancement of chemical …

A new method to improve the numerical stability of the hierarchical equations of motion for discrete harmonic oscillator modes

Y Yan, T Xing, Q Shi - The Journal of Chemical Physics, 2020 - pubs.aip.org
The hierarchical equations of motion (HEOMs) have developed into an important tool in
simulating quantum dynamics in condensed phases. Yet, it has recently been found that the …

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 …

A new perspective for nonadiabatic dynamics with phase space mapping models

X He, J Liu - The Journal of Chemical Physics, 2019 - pubs.aip.org
Based on the recently developed unified theoretical framework [J. Liu, J. Chem. Phys. 145
(20), 204105 (2016)], we propose a new perspective for studying nonadiabatic dynamics …

Negative zero-point-energy parameter in the Meyer–Miller mapping model for nonadiabatic dynamics

X He, Z Gong, B Wu, J Liu - The Journal of Physical Chemistry …, 2021 - ACS Publications
The celebrated Meyer–Miller mapping model has been a useful approach for generating
practical trajectory-based nonadiabatic dynamics methods. It is generally assumed that the …

About the performance of perturbative treatments of the spin-boson dynamics within the hierarchical equations of motion approach

M Xu, J Ankerhold - The European Physical Journal Special Topics, 2023 - Springer
The hierarchical equations of motion (HEOM) provide a numerically exact approach for
simulating the dynamics of open quantum systems coupled to a harmonic bath. However, its …

Exact dynamics of the spin-boson model at the Toulouse limit

YA Yan, J Shao - Physical Review A, 2023 - APS
Starting from the stochastic Liouville equation, we obtain an integral functional equation for
describing the finite-temperature dynamics of the asymmetric spin-boson model. Like the …

Hierarchical equations of motion method based on Fano spectrum decomposition for low temperature environments

HD Zhang, L Cui, H Gong, RX Xu, X Zheng… - The Journal of chemical …, 2020 - pubs.aip.org
The hierarchical equations of motion (HEOM) method has become one of the most popular
methods for the studies of the open quantum system. However, its applicability to systems at …