Related references
Note: Only part of the references are listed.Computing vibrational eigenstates with tree tensor network states (TTNS)
Henrik R. Larsson
JOURNAL OF CHEMICAL PHYSICS (2019)
Accuracy of Potfit-based potential representations and its impact on the performance of (ML-)MCTDH
Frank Otto et al.
CHEMICAL PHYSICS (2018)
A new collocation-based multi-configuration time-dependent Hartree (MCTDH) approach for solving the Schrodinger equation with a general potential energy surface
Robert Wodraszka et al.
JOURNAL OF CHEMICAL PHYSICS (2018)
Using an iterative eigensolver and intertwined rank reduction to compute vibrational spectra of molecules with more than a dozen atoms: Uracil and naphthalene
Phillip S. Thomas et al.
JOURNAL OF CHEMICAL PHYSICS (2018)
Tensor Decomposition for Signal Processing and Machine Learning
Nicholas D. Sidiropoulos et al.
IEEE TRANSACTIONS ON SIGNAL PROCESSING (2017)
Systematically expanding nondirect product bases within the pruned multi-configuration time-dependent Hartree (MCTDH) method: A comparison with multi-layer MCTDH
Robert Wodraszka et al.
JOURNAL OF CHEMICAL PHYSICS (2017)
Dynamical pruning of the multiconfiguration time-dependent Hartree (DP-MCTDH) method: An efficient approach for multidimensional quantum dynamics
H. R. Larsson et al.
JOURNAL OF CHEMICAL PHYSICS (2017)
Transforming high-dimensional potential energy surfaces into sum-of-products form using Monte Carlo methods
Markus Schroeder et al.
JOURNAL OF CHEMICAL PHYSICS (2017)
Vibrational energies for HFCO using a neural network sum of exponentials potential energy surface
Ekadashi Pradhan et al.
JOURNAL OF CHEMICAL PHYSICS (2016)
Neural network exponential fitting of a potential energy surface with multiple minima: Application to HFCO
Ekadashi Pradhan et al.
JOURNAL OF MOLECULAR SPECTROSCOPY (2016)
Methane dissociation on Ni(111): A fifteen-dimensional potential energy surface using neural network method
Xiangjian Shen et al.
JOURNAL OF CHEMICAL PHYSICS (2015)
Multilayer Multiconfiguration Time-Dependent Hartree Theory
Haobin Wang
JOURNAL OF PHYSICAL CHEMISTRY A (2015)
Multi-layer Potfit: An accurate potential representation for efficient high-dimensional quantum dynamics
Frank Otto
JOURNAL OF CHEMICAL PHYSICS (2014)
Communication: Separable potential energy surfaces from multiplicative artificial neural networks
Werner Koch et al.
JOURNAL OF CHEMICAL PHYSICS (2014)
The multigrid POTFIT (MGPF) method: Grid representations of potentials for quantum dynamics of large systems
Daniel Pelaez et al.
JOURNAL OF CHEMICAL PHYSICS (2013)
Studying molecular quantum dynamics with the multiconfiguration time-dependent Hartree method
Hans-Dieter Meyer
WILEY INTERDISCIPLINARY REVIEWS-COMPUTATIONAL MOLECULAR SCIENCE (2012)
The density-matrix renormalization group in the age of matrix product states
Ulrich Schollwoeck
ANNALS OF PHYSICS (2011)
Using a pruned basis, a non-product quadrature grid, and the exact Watson normal-coordinate kinetic energy operator to solve the vibrational Schrodinger equation for C2H4
Gustavo Avila et al.
JOURNAL OF CHEMICAL PHYSICS (2011)
Multilayer multiconfiguration time-dependent Hartree method: Implementation and applications to a Henon-Heiles Hamiltonian and to pyrazine
Oriol Vendrell et al.
JOURNAL OF CHEMICAL PHYSICS (2011)
TENSOR-TRAIN DECOMPOSITION
I. V. Oseledets
SIAM JOURNAL ON SCIENTIFIC COMPUTING (2011)
Strong Isotope Effects in the Infrared Spectrum of the Zundel Cation
Oriol Vendrell et al.
ANGEWANDTE CHEMIE-INTERNATIONAL EDITION (2009)
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
Oriol Vendrell et al.
JOURNAL OF CHEMICAL PHYSICS (2009)
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
Oriol Vendrell et al.
JOURNAL OF CHEMICAL PHYSICS (2009)
Numerically exact quantum dynamics for indistinguishable particles: The multilayer multiconfiguration time-dependent Hartree theory in second quantization representation
Haobin Wang et al.
JOURNAL OF CHEMICAL PHYSICS (2009)
Tensor decompositions, alternating least squares and other tales
P. Comon et al.
JOURNAL OF CHEMOMETRICS (2009)
Computation of vibrational energy levels and eigenstates of fluoroform using the multiconfiguration time-dependent Hartree method
Loic Joubert Doriol et al.
JOURNAL OF CHEMICAL PHYSICS (2008)
A multilayer multiconfigurational time-dependent Hartree approach for quantum dynamics on general potential energy surfaces
Uwe Manthe
JOURNAL OF CHEMICAL PHYSICS (2008)
Full dimensional (15-dimensional) quantum-dynamical simulation of the protonated water dimer. II. Infrared spectrum and vibrational dynamics
Oriol Vendrell et al.
JOURNAL OF CHEMICAL PHYSICS (2007)
Full-dimensional (15-dimensional) quantum-dynamical simulation of the protonated water dimer. I. Hamiltonian setup and analysis of the ground vibrational state
Oriol Vendrell et al.
JOURNAL OF CHEMICAL PHYSICS (2007)
Using neural networks to represent potential surfaces as sums of products
Sergei Manzhos et al.
JOURNAL OF CHEMICAL PHYSICS (2006)
Calculation and selective population of vibrational levels with the Multiconfiguration Time-Dependent Hartree (MCTDH) algorithm
Hans-Dieter Meyer et al.
CHEMICAL PHYSICS (2006)
A random-sampling high dimensional model representation neural network for building potential energy surfaces
Sergei Manzhos et al.
JOURNAL OF CHEMICAL PHYSICS (2006)
Theoretical investigation of intramolecular vibrational energy redistribution in highly excited HFCO
Gauthier Pasin et al.
JOURNAL OF CHEMICAL PHYSICS (2006)
A nested molecule-independent neural network approach for high-quality potential fits
S Manzhos et al.
JOURNAL OF PHYSICAL CHEMISTRY A (2006)
Multidimensional time-dependent discrete variable representations in multiconfiguration Hartree calculations
R van Harrevelt et al.
JOURNAL OF CHEMICAL PHYSICS (2005)
Ab initio potential energy and dipole moment surfaces for H5O+2 -: art. no. 044308
XC Huang et al.
JOURNAL OF CHEMICAL PHYSICS (2005)
Algorithms for numerical analysis in high dimensions
G Beylkin et al.
SIAM JOURNAL ON SCIENTIFIC COMPUTING (2005)
A novel algorithm for non-adiabatic direct dynamics using variational Gaussian wavepackets
GA Worth et al.
FARADAY DISCUSSIONS (2004)
Multilayer formulation of the multiconfiguration time-dependent Hartree theory
HB Wang et al.
JOURNAL OF CHEMICAL PHYSICS (2003)
Quantum molecular dynamics: propagating wavepackets and density operators using the multiconfiguration time-dependent Hartree method
HD Meyer et al.
THEORETICAL CHEMISTRY ACCOUNTS (2003)
Full quantum mechanical molecular dynamics using Gaussian wavepackets
GA Worth et al.
CHEMICAL PHYSICS LETTERS (2003)
Accurate wave packet propagation for large molecular systems: The multiconfiguration time-dependent Hartree (MCTDH) method with selected configurations
GA Worth
JOURNAL OF CHEMICAL PHYSICS (2000)
The multiconfiguration time-dependent Hartree (MCTDH) method: a highly efficient algorithm for propagating wavepackets
MH Beck et al.
PHYSICS REPORTS-REVIEW SECTION OF PHYSICS LETTERS (2000)