Time evolution of ML-MCTDH wavefunctions. I. Gauge conditions, basis functions, and singularities

Importance of Appropriately Regularizing the ML-MCTDH Equations of Motion

(2021) Haobin Wang et al.   JOURNAL OF PHYSICAL CHEMISTRY A

An unconventional robust integrator for dynamical low-rank approximation

(2021) Gianluca Ceruti et al.   BIT NUMERICAL MATHEMATICS

Symmetries in the multi-configurational time-dependent Hartree wavefunction representation and propagation

(2021) Thomas Weike et al.   JOURNAL OF CHEMICAL PHYSICS

Tensor network simulation of multi-environmental open quantum dynamics via machine learning and entanglement renormalisation

(2019) Florian A. Y. N. Schröder et al.   Nature Communications

Time-evolution methods for matrix-product states

(2019) Sebastian Paeckel et al.   ANNALS OF PHYSICS

Optimized unoccupied single-particle functions in the (multi-layer) multi-configurational time-dependent Hartree approach

(2018) Uwe Manthe   CHEMICAL PHYSICS

Tangent space formulation of the Multi-Configuration Time-Dependent Hartree equations of motion: The projector–splitting algorithm revisited

(2018) Matteo Bonfanti et al.   CHEMICAL PHYSICS

On regularizing the MCTDH equations of motion

(2018) Hans-Dieter Meyer et al.   JOURNAL OF CHEMICAL PHYSICS

On regularizing the ML-MCTDH equations of motion

(2018) Haobin Wang et al.   JOURNAL OF CHEMICAL PHYSICS

The symmetrical quasi-classical approach to electronically nonadiabatic dynamics applied to ultrafast exciton migration processes in semiconducting polymers

(2018) Ruibin Liang et al.   JOURNAL OF CHEMICAL PHYSICS

Implementation of a novel projector-splitting integrator for the multi-configurational time-dependent Hartree approach

(2017) Benedikt Kloss et al.   JOURNAL OF CHEMICAL PHYSICS

Multidimensional Quantum Mechanical Modeling of Electron Transfer and Electronic Coherence in Plant Cryptochromes: The Role of Initial Bath Conditions

(2017) David Mendive-Tapia et al.   JOURNAL OF PHYSICAL CHEMISTRY B

Multilayer-MCTDH approach to the energy transfer dynamics in the LH2 antenna complex

(2017) Mohamed F Shibl et al.   JOURNAL OF PHYSICS B-ATOMIC MOLECULAR AND OPTICAL PHYSICS

Multi-layer multi-configuration time-dependent Hartree (ML-MCTDH) approach to the correlated exciton-vibrational dynamics in the FMO complex

(2016) Jan Schulze et al.   JOURNAL OF CHEMICAL PHYSICS

Discretized Dynamical Low-Rank Approximation in the Presence of Small Singular Values

(2016) Emil Kieri et al.   SIAM JOURNAL ON NUMERICAL ANALYSIS

The multi-configurational time-dependent Hartree approach revisited

(2015) Uwe Manthe   JOURNAL OF CHEMICAL PHYSICS

Multilayer Multiconfiguration Time-Dependent Hartree Theory

(2015) Haobin Wang   JOURNAL OF PHYSICAL CHEMISTRY A

Sub-Ohmic to super-Ohmic crossover behavior in nonequilibrium quantum systems with electron-phonon interactions

(2015) Eli Y. Wilner et al.   PHYSICAL REVIEW B

A multilayer MCTDH study on the full dimensional vibronic dynamics of naphthalene and anthracene cations

(2013) Qingyong Meng et al.   JOURNAL OF CHEMICAL PHYSICS

Quantum dynamics of electron-transfer reactions: photoinduced intermolecular electron transfer in a porphyrin–quinone complex

(2012) Raffaele Borrelli et al.   MOLECULAR PHYSICS

Accurate quantum-mechanical rate constants for a linear response Azzouz-Borgis proton transfer model employing the multilayer multiconfiguration time-dependent Hartree approach

(2011) Ian R. Craig et al.   JOURNAL OF CHEMICAL PHYSICS

Multilayer multiconfiguration time-dependent Hartree method: Implementation and applications to a Henon–Heiles Hamiltonian and to pyrazine

(2011) Oriol Vendrell et al.   JOURNAL OF CHEMICAL PHYSICS

Meir–Wingreen formula for heat transport in a spin-boson nanojunction model

(2010) Kirill A. Velizhanin et al.   JOURNAL OF CHEMICAL PHYSICS

Full dimensional (15-dimensional) quantum-dynamical simulation of the protonated water-dimer III: Mixed Jacobi-valence parametrization and benchmark results for the zero point energy, vibrationally excited states, and infrared spectrum

(2009) Oriol Vendrell et al.   JOURNAL OF CHEMICAL PHYSICS

Full dimensional (15 dimensional) quantum-dynamical simulation of the protonated water-dimer IV: Isotope effects in the infrared spectra of D(D2O)2+, H(D2O)2+, and D(H2O)2+ isotopologues

(2009) Oriol Vendrell et al.   JOURNAL OF CHEMICAL PHYSICS

Using the MCTDH wavepacket propagation method to describe multimode non-adiabatic dynamics

(2008) G. A. Worth et al.   INTERNATIONAL REVIEWS IN PHYSICAL CHEMISTRY

A multilayer multiconfigurational time-dependent Hartree approach for quantum dynamics on general potential energy surfaces

(2008) Uwe Manthe   JOURNAL OF CHEMICAL PHYSICS