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

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

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

Solving the time-dependent Schroedinger equation by discarding high-energy basis functions

(2010) Mike McLeod et al.   CHEMICAL PHYSICS LETTERS

An improved neural network method for solving the Schrödinger equation

(2009) Sergei Manzhos et al.   CANADIAN JOURNAL OF CHEMISTRY

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

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

Nonproduct quadrature grids for solving the vibrational Schrödinger equation

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

Efficient quantum calculations of vibrational states of vinylidene in full dimensionality: A scheme with combination of methods

(2008) Bin Li et al.   JOURNAL OF CHEMICAL PHYSICS

Vibrational energy levels of CH5+

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

Interpolating moving least-squares methods for fitting potential energy surfaces: A strategy for efficient automatic data point placement in high dimensions

(2008) Richard Dawes et al.   JOURNAL OF CHEMICAL PHYSICS

Numerical integration of exchange-correlation energies and potentials using transformed sparse grids

(2008) Juan I. Rodríguez et al.   JOURNAL OF CHEMICAL PHYSICS

A physically motivated sparse cubature scheme with applications to molecular density-functional theory

(2008) Juan I Rodriguez et al.   Journal of Physics A-Mathematical and Theoretical

Variational quantum approaches for computing vibrational energies of polyatomic molecules

(2008) Joel M Bowman et al.   MOLECULAR PHYSICS