PathSum: A C++ and Fortran suite of fully quantum mechanical real-time path integral methods for (multi-) system+ bath dynamics

S Kundu, N Makri - The Journal of Chemical Physics, 2023 - pubs.aip.org
This paper reports the release of PATHSUM, a new software suite of state-of-the-art path
integral methods for studying the dynamics of single or extended systems coupled to …

[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‐QUICK: a program for accurate, efficient, and universal characterization of strongly correlated quantum impurity systems

LZ Ye, X Wang, D Hou, RX Xu… - Wiley Interdisciplinary …, 2016 - Wiley Online Library
Accurate characterization of correlated electronic states, as well as their evolution under
external fields or in dissipative environment, is essentially important for understanding the …

Taming quantum noise for efficient low temperature simulations of open quantum systems

M Xu, Y Yan, Q Shi, J Ankerhold, JT Stockburger - Physical Review Letters, 2022 - APS
The hierarchical equations of motion (HEOM), derived from the exact Feynman-Vernon path
integral, is one of the most powerful numerical methods to simulate the dynamics of open …

[HTML][HTML] Universal time-domain Prony fitting decomposition for optimized hierarchical quantum master equations

ZH Chen, Y Wang, X Zheng, RX Xu… - The Journal of Chemical …, 2022 - pubs.aip.org
In this Communication, we propose the time-domain Prony fitting decomposition (t-PFD) as
an accurate and efficient exponential series method, applicable to arbitrary bath correlation …

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 …

[HTML][HTML] Reduced hierarchical equations of motion in real and imaginary time: Correlated initial states and thermodynamic quantities

Y Tanimura - The Journal of chemical physics, 2014 - pubs.aip.org
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 …

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 …

[HTML][HTML] Computational spectroscopy of complex systems

TLC Jansen - The Journal of Chemical Physics, 2021 - pubs.aip.org
Numerous linear and non-linear spectroscopic techniques have been developed to
elucidate structural and functional information of complex systems ranging from natural …

Quantum heat current under non-perturbative and non-Markovian conditions: Applications to heat machines

A Kato, Y Tanimura - The Journal of chemical physics, 2016 - pubs.aip.org
We consider a quantum system strongly coupled to multiple heat baths at different
temperatures. Quantum heat transport phenomena in this system are investigated using two …