Optimal tree tensor network operators for tensor network simulations: Applications to open quantum systems
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 …
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
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 …
implementation with the tensor-train format. These equations are a great standard in non …
Rank-adaptive time integration of tree tensor networks
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 …
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
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) …
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
The correlation discrete variable representation (CDVR) enables (multilayer) multi-
configurational time-dependent Hartree (MCTDH) calculations with general potentials. The …
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
Compared to ground-state electronic structure optimizations, accurate simulations of
molecular real-time electron dynamics are usually much more difficult to perform. To …
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 …
density matrix renormalisation group (DMRG) are powerful workhorses applied mostly in …
[HTML][HTML] Photo-induced dynamics with continuous and discrete quantum baths
The ultrafast quantum dynamics of photophysical processes in complex molecules is an
extremely challenging computational problem with a broad variety of fascinating …
extremely challenging computational problem with a broad variety of fascinating …
Correlation functions from tensor network influence functionals: The case of the spin-boson model
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 …
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
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 …
Schrödinger equation. For a full description of the theory see the review [1]. You may also …