A review is given on the multiconfiguration time-dependent Hartree (MCTDH) method, which
is an algorithm for propagating wavepackets. The formal derivation, numerical …

A novel discrete variable representation (DVR) is introduced for use as the L 2 basis of the S‐
matrix version of the Kohn variational method [Zhang, Chu, and Miller, J. Chem. Phys. 8 8 …

This book provides a detailed presentation of modern quantum theories for treating the
reaction dynamics of small molecular systems. Its main focus is on the recent development …

An efficient method was recently introduced J. Chem. Phys. 102, 5605 1995; 104, 7974
1996 to represent multidimensional potential energy surfaces as a linear combination of …

The log derivative version of Kohn's variational principle is used as a setting for a new
numerical approach to quantum scattering problems. In particular, a new radial basis set is …

The S‐matrix version of the Kohn variational principle is used to obtain a very effective
method for quantum scattering calculations. The approach is especially useful for the …

In this article, we review several methods for performing numerically-exact reactive
scattering calculations using time-dependent wavepackets. The basic idea we imply is to …

A time‐dependent wave packet method has been developed to study atom–triatom ABC+
D→ AB+ CD reactions in full six dimensions (6D). The approach employs a body‐fixed …

The persistent differences between the rotational state distribution measurements of Kliner,
Adelman and Zare (J. Chem. Phys. 95,(1991) 1648) for the D+ H 2 reaction and theory are …

This paper is an overview of the theory of reactive scattering, with emphasis on fully
quantum mechanical theories that have been developed to describe simple chemical …