Equation-of-Motion Methods for the Calculation of Femtosecond Time-Resolved 4-Wave-Mixing and N-Wave-Mixing Signals

MF Gelin, L Chen, W Domcke - Chemical Reviews, 2022 - ACS Publications
Femtosecond nonlinear spectroscopy is the main tool for the time-resolved detection of
photophysical and photochemical processes. Since most systems of chemical interest are …

Colloquium: Multiconfigurational time-dependent Hartree approaches for indistinguishable particles

AUJ Lode, C Lévêque, LB Madsen, AI Streltsov… - Reviews of Modern …, 2020 - APS
In this Colloquium, the wave-function-based multiconfigurational time-dependent Hartree
approaches to the dynamics of indistinguishable particles (MCTDH-F for fermions and …

Time‐dependent density matrix renormalization group method for quantum dynamics in complex systems

J Ren, W Li, T Jiang, Y Wang… - Wiley Interdisciplinary …, 2022 - Wiley Online Library
The simulations of spectroscopy and quantum dynamics are of vital importance to the
understanding of the electronic processes in complex systems, including the …

Time-dependent density matrix renormalization group quantum dynamics for realistic chemical systems

X Xie, Y Liu, Y Yao, U Schollwöck, C Liu… - The Journal of Chemical …, 2019 - pubs.aip.org
Electronic and/or vibronic coherence has been found by recent ultrafast spectroscopy
experiments in many chemical, biological, and material systems. This indicates that there …

Computing vibrational eigenstates with tree tensor network states (TTNS)

HR Larsson - The Journal of chemical physics, 2019 - pubs.aip.org
We present how to compute vibrational eigenstates with tree tensor network states (TTNSs),
the underlying ansatz behind the multilayer multiconfiguration time-dependent Hartree (ML …

A low-rank method for two-dimensional time-dependent radiation transport calculations

Z Peng, RG McClarren, M Frank - Journal of Computational Physics, 2020 - Elsevier
The low-rank approximation is a complexity reduction technique to approximate a tensor or
a matrix with a reduced rank, which has been applied to the simulation of high dimensional …

Numerical assessment for accuracy and GPU acceleration of TD-DMRG time evolution schemes

W Li, J Ren, Z Shuai - The Journal of Chemical Physics, 2020 - pubs.aip.org
The time dependent density matrix renormalization group (TD-DMRG) has become one of
the cutting edge methods of quantum dynamics for complex systems. In this paper, we …

MCTDH-X: The multiconfigurational time-dependent Hartree method for indistinguishable particles software

R Lin, P Molignini, L Papariello… - Quantum Science …, 2020 - iopscience.iop.org
We introduce and describe the multiconfigurational time-depenent Hartree for
indistinguishable particles (MCTDH-X) software, which is hosted, documented, and …

Investigating the collective nature of cavity-modified chemical kinetics under vibrational strong coupling

LP Lindoy, A Mandal, DR Reichman - Nanophotonics, 2024 - degruyter.com
In this paper, we develop quantum dynamical methods capable of treating the dynamics of
chemically reacting systems in an optical cavity in the vibrationally strong-coupling (VSC) …

Studying dynamics in two-dimensional quantum lattices using tree tensor network states

B Kloss, D Reichman, Y Bar Lev - SciPost Physics, 2020 - scipost.org
We analyze and discuss convergence properties of a numerically exact algorithm tailored to
study the dynamics of interacting two-dimensional lattice systems. The method is based on …