Unitary quantum time evolution by iterative Lanczos reduction

An iteration method for the solution of the eigenvalue problem of linear differential and integral operators

1950 • 4,159 citations

An accurate and efficient scheme for propagating the time dependent Schrödinger equation

1984 • 1,430 citations

Lanczos Algorithms for Large Symmetric Eigenvalue Computations

2002 • 1,301 citations

Quantum mechanical rate constants for bimolecular reactions

1983 • 876 citations

Frozen Gaussians: A very simple semiclassical approximation

1981 • 722 citations

Quantum mechanical transition state theory and a new semiclassical model for reaction rate constants

1974 • 685 citations

The Recursive Solution of the Schrodinger Equation

1980 • 460 citations

On distributed Gaussian bases for simple model multidimensional vibrational problems

1986 • 404 citations

A Fourier method solution for the time dependent Schrödinger equation: A study of the reaction H++H2, D++HD, and D++H2

1983 • 303 citations

Time dependent formulation of polyatomic photofragmentation: Application to H3+

1978 • 271 citations

New Approach to Many-State Quantum Dynamics: The Recursive-Residue-Generation Method

1983 • 260 citations

Semiclassical Gaussian basis set method for molecular vibrational wave functions

1979 • 253 citations

Close-coupling wave packet approach to numerically exact molecule–surface scattering calculations

1986 • 202 citations

The Recursion Method and Its Applications

1987 • 202 citations

A time dependent wave packet approach to three-dimensional gas–surface scattering

1983 • 145 citations

Quantum Dynamics of the Collinear (H, H2) Reaction

1969 • 144 citations

A quantum analog to the classical quasiperiodic motion

1982 • 141 citations

Dynamical atom/surface effects: Quantum mechanical scattering and desorption

1984 • 128 citations

Extended wave packet dynamics; exact solution for collinear atom, diatomic molecule scattering

1982 • 122 citations

‘‘Direct’’ calculation of quantum mechanical rate constants via path integral methods: Application to the reaction path Hamiltonian, with numerical test for the H+H2 reaction in 3D

1985 • 116 citations

A multiple trajectory theory for curve crossing problems obtained by using a Gaussian wave packet representation of the nuclear motion

1986 • 108 citations

Quantum ergodicity and vibrational relaxation in isolated molecules. II. λ-independent effects and relaxation to the asymptotic limit

1974 • 105 citations

Comparisons of classical and quantum dynamics for initially localized states

1984 • 99 citations

Theory of laser-molecule interaction: The recursive-residue-generation method

1984 • 97 citations

On a hybrid close-coupling—wave packet approach to molecular scattering

1985 • 93 citations

Direct computation of quantal rate constants: Recursive development of the flux autocorrelation function

1985 • 61 citations

Quantum and classical dynamics of a coupled double well oscillator

1981 • 48 citations

The temperature dependence of diffracted beam intensities in atom–surface scattering

1985 • 44 citations

An examination of the use of wave packets for the calculation of atom diffraction by surfaces

1985 • 27 citations

Quantum statistical mechanics via the recursive residue generation method

1985 • 27 citations

Quantum mechanical microcanonical rate constants from direct calculations of the Green’s function for reactive scattering

1986 • 18 citations