[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 …

Dissipation equation of motion approach to open quantum systems

YJ Yan, J **, RX Xu, X Zheng - Frontiers of Physics, 2016 - Springer
This paper presents a comprehensive account of the dissipaton-equation-of-motion (DEOM)
theory for open quantum systems. This newly developed theory treats not only the quantum …

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 …

[HTML][HTML] Reduced hierarchy equations of motion approach with Drude plus Brownian spectral distribution: Probing electron transfer processes by means of two …

Y Tanimura - The Journal of chemical physics, 2012 - pubs.aip.org
We theoretically investigate an electron transfer (ET) process in a dissipative environment by
means of two-dimensional (2D) correlation spectroscopy. We extend the reduced hierarchy …

[HTML][HTML] On-the-fly ab initio semiclassical evaluation of third-order response functions for two-dimensional electronic spectroscopy

T Begušić, J Vaníček - The Journal of Chemical Physics, 2020 - pubs.aip.org
Ab initio computation of two-dimensional electronic spectra is an expanding field, whose
goal is improving upon simple, few-dimensional models often employed to explain …

Efficient calculation of open quantum system dynamics and time‐resolved spectroscopy with distributed memory HEOM (DM‐HEOM)

T Kramer, M Noack, A Reinefeld… - Journal of …, 2018 - Wiley Online Library
Time‐and frequency‐resolved optical signals provide insights into the properties of light‐
harvesting molecular complexes, including excitation energies, dipole strengths and …

Effects of Herzberg–Teller vibronic coupling on coherent excitation energy transfer

HD Zhang, Q Qiao, RX Xu, YJ Yan - The Journal of Chemical Physics, 2016 - pubs.aip.org
In this work, we study the effects of non-Condon vibronic coupling on the quantum
coherence of excitation energy transfer, via the exact dissipaton-equation-of-motion …

On the exact truncation tier of fermionic hierarchical equations of motion

L Han, HD Zhang, X Zheng, YJ Yan - The Journal of chemical physics, 2018 - pubs.aip.org
The hierarchical equations of motion (HEOM) theory is in principle exact for describing the
dissipative dynamics of quantum systems linearly coupled to Gaussian environments. In …

Optimizing hierarchical equations of motion for quantum dissipation and quantifying quantum bath effects on quantum transfer mechanisms

JJ Ding, RX Xu, YJ Yan - The Journal of chemical physics, 2012 - pubs.aip.org
We present an optimized hierarchical equations of motion theory for quantum dissipation in
multiple Brownian oscillators bath environment, followed by a mechanistic study on a model …