Dynamical pruning of the multiconfiguration time-dependent Hartree (DP-MCTDH) method: An efficient approach for multidimensional quantum dynamics
Published 2017 View Full Article
- Home
- Publications
- Publication Search
- Publication Details
Title
Dynamical pruning of the multiconfiguration time-dependent Hartree (DP-MCTDH) method: An efficient approach for multidimensional quantum dynamics
Authors
Keywords
-
Journal
JOURNAL OF CHEMICAL PHYSICS
Volume 147, Issue 4, Pages 044103
Publisher
AIP Publishing
Online
2017-08-02
DOI
10.1063/1.4993219
References
Ask authors/readers for more resources
Related references
Note: Only part of the references are listed.- Systematically expanding nondirect product bases within the pruned multi-configuration time-dependent Hartree (MCTDH) method: A comparison with multi-layer MCTDH
- (2017) Robert Wodraszka 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
- Perspective: Computing (ro-)vibrational spectra of molecules with more than four atoms
- (2017) Tucker Carrington JOURNAL OF CHEMICAL PHYSICS
- Time-dependent restricted-active-space self-consistent-field theory for bosonic many-body systems
- (2017) Camille Lévêque et al. NEW JOURNAL OF PHYSICS
- Using a pruned, nondirect product basis in conjunction with the multi-configuration time-dependent Hartree (MCTDH) method
- (2016) Robert Wodraszka et al. JOURNAL OF CHEMICAL PHYSICS
- Efficient molecular quantum dynamics in coordinate and phase space using pruned bases
- (2016) H. R. Larsson et al. JOURNAL OF CHEMICAL PHYSICS
- Assessing the utility of phase-space-localized basis functions: Exploiting direct product structure and a new basis function selection procedure
- (2016) James Brown et al. JOURNAL OF CHEMICAL PHYSICS
- Full-dimensional quantum dynamics study of the H2 + C2H → H + C2H2 reaction on an ab initio potential energy surface
- (2016) Liuyang Chen et al. JOURNAL OF CHEMICAL PHYSICS
- Efficient generation of sum-of-products representations of high-dimensional potential energy surfaces based on multimode expansions
- (2016) Benjamin Ziegler et al. JOURNAL OF CHEMICAL 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
- Quantum Dynamics in Phase Space using Projected von Neumann Bases
- (2016) Shai Machnes et al. JOURNAL OF PHYSICAL CHEMISTRY A
- Large scale exact quantum dynamics calculations: Ten thousand quantum states of acetonitrile
- (2015) Thomas Halverson et al. CHEMICAL PHYSICS LETTERS
- Quantum dynamics simulations using Gaussian wavepackets: the vMCG method
- (2015) G.W. Richings et al. INTERNATIONAL REVIEWS IN PHYSICAL CHEMISTRY
- Using an iterative eigensolver to compute vibrational energies with phase-spaced localized basis functions
- (2015) James Brown et al. JOURNAL OF CHEMICAL PHYSICS
- Using multi-dimensional Smolyak interpolation to make a sum-of-products potential
- (2015) Gustavo Avila et al. JOURNAL OF CHEMICAL PHYSICS
- The multi-configurational time-dependent Hartree approach revisited
- (2015) Uwe Manthe JOURNAL OF CHEMICAL PHYSICS
- Towards an automated and efficient calculation of resonating vibrational states based on state-averaged multiconfigurational approaches
- (2015) Patrick Meier et al. JOURNAL OF CHEMICAL PHYSICS
- Full-dimensional multilayer multiconfigurational time-dependent Hartree study of electron transfer dynamics in the anthracene/C60 complex
- (2015) Yu Xie et al. JOURNAL OF CHEMICAL PHYSICS
- One Million Quantum States of Benzene
- (2015) Thomas Halverson et al. JOURNAL OF PHYSICAL CHEMISTRY A
- Multilayer Multiconfiguration Time-Dependent Hartree Theory
- (2015) Haobin Wang JOURNAL OF PHYSICAL CHEMISTRY A
- Qualitative failure of a multiconfiguration method in prolate spheroidal coordinates in calculating dissociative photoionization ofH2+
- (2015) Daniel J. Haxton et al. PHYSICAL REVIEW A
- Time-dependent multiconfiguration self-consistent-field method based on the occupation-restricted multiple-active-space model for multielectron dynamics in intense laser fields
- (2015) Takeshi Sato et al. PHYSICAL REVIEW A
- The Lagrange-mesh method
- (2015) Daniel Baye PHYSICS REPORTS-REVIEW SECTION OF PHYSICS LETTERS
- Truncated many-body dynamics of interacting bosons: A variational principle with error monitoring
- (2014) Kang-Soo Lee et al. INTERNATIONAL JOURNAL OF MODERN PHYSICS B
- The von Neumann basis in non-Cartesian coordinates: Application to floppy triatomic molecules
- (2014) Asaf Shimshovitz et al. JOURNAL OF CHEMICAL PHYSICS
- Multi-layer Potfit: An accurate potential representation for efficient high-dimensional quantum dynamics
- (2014) Frank Otto JOURNAL OF CHEMICAL PHYSICS
- A full-dimensional multilayer multiconfiguration time-dependent Hartree study on the ultraviolet absorption spectrum of formaldehyde oxide
- (2014) Qingyong Meng et al. JOURNAL OF CHEMICAL PHYSICS
- Calculation of exact vibrational spectra for P2O and CH2NH using a phase space wavelet basis
- (2014) Thomas Halverson et al. JOURNAL OF CHEMICAL PHYSICS
- Multi-reference vibration correlation methods
- (2014) Florian Pfeiffer et al. JOURNAL OF CHEMICAL PHYSICS
- Communication: Separable potential energy surfaces from multiplicative artificial neural networks
- (2014) Werner Koch et al. JOURNAL OF CHEMICAL PHYSICS
- Nine-dimensional quantum dynamics study of the H2+ NH2→ H + NH3reaction: a rigorous test of the sudden vector projection model
- (2014) Hongwei Song et al. PHYSICAL CHEMISTRY CHEMICAL PHYSICS
- Time-dependent restricted-active-space self-consistent-field theory for laser-driven many-electron dynamics. II. Extended formulation and numerical analysis
- (2014) Haruhide Miyagi et al. PHYSICAL REVIEW A
- A second-order multi-reference perturbation method for molecular vibrations
- (2013) Wataru Mizukami et al. JOURNAL OF CHEMICAL PHYSICS
- The multigrid POTFIT (MGPF) method: Grid representations of potentials for quantum dynamics of large systems
- (2013) Daniel Peláez et al. JOURNAL OF CHEMICAL PHYSICS
- Gaussian-based multiconfiguration time-dependent Hartree: A two-layer approach. I. Theory
- (2013) S. Römer et al. JOURNAL OF CHEMICAL PHYSICS
- Time-dependent restricted-active-space self-consistent-field theory for laser-driven many-electron dynamics
- (2013) Haruhide Miyagi et al. PHYSICAL REVIEW A
- Communication: Phase space approach to laser-driven electronic wavepacket propagation
- (2012) Norio Takemoto et al. JOURNAL OF CHEMICAL PHYSICS
- Reaction dynamics with the multi-layer multi-configurational time-dependent Hartree approach: H + CH4 → H2 + CH3 rate constants for different potentials
- (2012) Ralph Welsch et al. JOURNAL OF CHEMICAL PHYSICS
- Phase-Space Approach to Solving the Time-Independent Schrödinger Equation
- (2012) Asaf Shimshovitz et al. PHYSICAL REVIEW LETTERS
- Configuration selection within vibrational multiconfiguration self-consistent field theory: Application to bridged lithium compounds
- (2011) Sandra Heislbetz 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
- Vibrational multiconfiguration self-consistent field theory: Implementation and test calculations
- (2010) Sandra Heislbetz et al. JOURNAL OF CHEMICAL PHYSICS
- Hierarchical Singular Value Decomposition of Tensors
- (2010) Lars Grasedyck SIAM JOURNAL ON MATRIX ANALYSIS AND APPLICATIONS
- Computing vibrational energy levels by using mappings to fully exploit the structure of a pruned product basis
- (2009) Jason Cooper et al. JOURNAL OF CHEMICAL PHYSICS
- Layered discrete variable representations and their application within the multiconfigurational time-dependent Hartree approach
- (2009) Uwe Manthe JOURNAL OF CHEMICAL PHYSICS
- A New Scheme for the Tensor Representation
- (2009) W. Hackbusch et al. JOURNAL OF FOURIER ANALYSIS AND APPLICATIONS
- Tensor Decompositions and Applications
- (2009) Tamara G. Kolda et al. SIAM REVIEW
- A multilayer multiconfigurational time-dependent Hartree approach for quantum dynamics on general potential energy surfaces
- (2008) Uwe Manthe JOURNAL OF CHEMICAL PHYSICS
- Quantum-mechanical wavepacket propagation in a sparse, adaptive basis of interpolating Gaussians with collocation
- (2008) J. Sielk et al. PHYSICAL CHEMISTRY CHEMICAL PHYSICS
Find Funding. Review Successful Grants.
Explore over 25,000 new funding opportunities and over 6,000,000 successful grants.
ExplorePublish scientific posters with Peeref
Peeref publishes scientific posters from all research disciplines. Our Diamond Open Access policy means free access to content and no publication fees for authors.
Learn More