Systematically expanding nondirect product bases within the pruned multi-configuration time-dependent Hartree (MCTDH) method: A comparison with multi-layer MCTDH

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

Calculating vibrational spectra of molecules using tensor train decomposition

(2016) Maxim Rakhuba et al.   JOURNAL OF CHEMICAL PHYSICS

Using an expanding nondirect product harmonic basis with an iterative eigensolver to compute vibrational energy levels with as many as seven atoms

(2016) James Brown et al.   JOURNAL OF CHEMICAL PHYSICS

Using an iterative eigensolver to compute vibrational energies with phase-spaced localized basis functions

(2015) James Brown et al.   JOURNAL OF CHEMICAL PHYSICS

The multi-configurational time-dependent Hartree approach revisited

(2015) Uwe Manthe   JOURNAL OF CHEMICAL PHYSICS

A multi-dimensional Smolyak collocation method in curvilinear coordinates for computing vibrational spectra

(2015) Gustavo Avila et al.   JOURNAL OF CHEMICAL PHYSICS

Using Nested Contractions and a Hierarchical Tensor Format To Compute Vibrational Spectra of Molecules with Seven Atoms

(2015) Phillip S. Thomas et al.   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

Comment on “Phase-Space Approach to Solving the Time-Independent Schrödinger Equation”

(2015) James Brown et al.   PHYSICAL REVIEW LETTERS

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

Computing rovibrational levels of methane with curvilinear internal vibrational coordinates and an Eckart frame

(2013) Xiao-Gang Wang et al.   JOURNAL OF CHEMICAL PHYSICS

Phase-Space Approach to Solving the Time-Independent Schrödinger Equation

(2012) Asaf Shimshovitz et al.   PHYSICAL REVIEW LETTERS

Using nonproduct quadrature grids to solve the vibrational Schrödinger equation in 12D

(2011) Gustavo Avila et al.   JOURNAL OF CHEMICAL PHYSICS

Using a pruned basis, a non-product quadrature grid, and the exact Watson normal-coordinate kinetic energy operator to solve the vibrational Schrödinger equation for C2H4

(2011) Gustavo Avila 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

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

Nonproduct quadrature grids for solving the vibrational Schrödinger equation

(2009) Gustavo Avila et al.   JOURNAL OF CHEMICAL PHYSICS

Toward black-box-type full- and reduced-dimensional variational (ro)vibrational computations

(2009) Edit Mátyus 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

On the variational computation of a large number of vibrational energy levels and wave functions for medium-sized molecules

(2009) Edit Mátyus et al.   JOURNAL OF CHEMICAL PHYSICS

A New Scheme for the Tensor Representation

(2009) W. Hackbusch et al.   JOURNAL OF FOURIER ANALYSIS AND APPLICATIONS

Vibrational energy levels of CH5+

(2008) Xiao-Gang Wang et al.   JOURNAL OF CHEMICAL PHYSICS

Computation of vibrational energy levels and eigenstates of fluoroform using the multiconfiguration time-dependent Hartree method

(2008) Loïc Joubert Doriol et al.   JOURNAL OF CHEMICAL PHYSICS

Using neural networks, optimized coordinates, and high-dimensional model representations to obtain a vinyl bromide potential surface

(2008) Sergei Manzhos et al.   JOURNAL OF CHEMICAL PHYSICS

The state averaged multiconfigurational time-dependent Hartree approach: Vibrational state and reaction rate calculations

(2008) Uwe Manthe   JOURNAL OF CHEMICAL PHYSICS

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

(2008) Uwe Manthe   JOURNAL OF CHEMICAL PHYSICS

Variational quantum approaches for computing vibrational energies of polyatomic molecules

(2008) Joel M Bowman et al.   MOLECULAR PHYSICS

From coherent motion to localization: dynamics of the spin-boson model at zero temperature

(2008) Haobin Wang et al.   NEW JOURNAL OF PHYSICS