Optimal tree tensor network operators for tensor network simulations: Applications to open quantum systems

W Li, J Ren, H Yang, H Wang, Z Shuai - The Journal of Chemical …, 2024 - pubs.aip.org
Tree tensor network states (TTNS) decompose the system wavefunction to the product of low-
rank tensors based on the tree topology, serving as the foundation of the multi-layer multi …

Survey of the hierarchical equations of motion in tensor-train format for non-Markovian quantum dynamics

E Mangaud, A Jaouadi, A Chin… - The European Physical …, 2023 - Springer
This work is a pedagogical survey about the hierarchical equations of motion and their
implementation with the tensor-train format. These equations are a great standard in non …

Rank-adaptive time integration of tree tensor networks

G Ceruti, C Lubich, D Sulz - SIAM Journal on Numerical Analysis, 2023 - SIAM
A rank-adaptive integrator for the approximate solution of high-order tensor differential
equations by tree tensor networks is proposed and analyzed. In a recursion from the leaves …

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) …

A numerically exact correlation discrete variable representation for multi-configurational time-dependent Hartree calculations

R Ellerbrock, H Hoppe, U Manthe - The Journal of Chemical Physics, 2023 - pubs.aip.org
The correlation discrete variable representation (CDVR) enables (multilayer) multi-
configurational time-dependent Hartree (MCTDH) calculations with general potentials. The …

Simulating real-time molecular electron dynamics efficiently using the time-dependent density matrix renormalization group

IS Wahyutama, HR Larsson - Journal of Chemical Theory and …, 2024 - ACS Publications
Compared to ground-state electronic structure optimizations, accurate simulations of
molecular real-time electron dynamics are usually much more difficult to perform. To …

A tensor network view of multilayer multiconfiguration time-dependent Hartree methods

HR Larsson - Molecular Physics, 2024 - Taylor & Francis
The multilayer multiconfiguration time-dependent Hartree (ML-MCTDH) method and the
density matrix renormalisation group (DMRG) are powerful workhorses applied mostly in …

[HTML][HTML] Photo-induced dynamics with continuous and discrete quantum baths

Z **e, M Moroder, U Schollwöck… - The Journal of Chemical …, 2024 - pubs.aip.org
The ultrafast quantum dynamics of photophysical processes in complex molecules is an
extremely challenging computational problem with a broad variety of fascinating …

Correlation functions from tensor network influence functionals: The case of the spin-boson model

H Nguyen, N Ng, LP Lindoy, G Park, AJ Millis… - The Journal of …, 2024 - pubs.aip.org
We investigate the application of matrix product state (MPS) representations of the influence
functionals (IFs) for the calculation of real-time equilibrium correlation functions in open …

[PDF][PDF] The Heidelberg MCTDH Package: A set of programs for multi-dimensional quantum dynamics

GA Worth, MH Beck, A Jäckle, HD Meyer… - User's Guide …, 2000 - pci.uni-heidelberg.de
The MCTDH method is an efficient algorithm for the solution of the time-dependent
Schrödinger equation. For a full description of the theory see the review [1]. You may also …