In this review we discuss quantum dynamically based theoretical methods for studying
bimolecular gas phase chemical reactions. The scope is largely limited to reactions …

The second edition of an established graduate text, this book complements the material for a
typical advanced graduate course in quantum mechanics by showing how the underlying …

The crossing of two electronic potential surfaces (a conical intersection) should result in
geometric phase effects even for molecular processes confined to the lower surface …

ABSTRACT The Time Dependent Discrete Variable Representation (TDDVR) method was
initiated by Adhikari and Billing considering time dependent Gauss-Hermite basis functions …

The latest reactive scattering experiments1 study gasphase chemical reactions at an
unprecedented level of detail, and require rigorous, often fully quantum mechanical, 2, 3 …

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 …

Interferences are genuine quantum phenomena that appear whenever two seemingly
distinct classical trajectories lead to the same outcome. They are common in elastic …

In this work, we present quantum-mechanical rate constants for the prototypical reaction F
(2P3/2)+ H2 (v= 0, j= 0,…, 5)→ HF (v′, j′)+ H for temperatures ranging from∼ 10 up to …

We report quantum wave packet calculations of state-to-state reaction probabilities and
cross sections for the reaction H+ H 2 (v 0= 0, j 0= 0)→ H 2 (v, j)+ H⁠, at total energies up to …

We have implemented the coupled three-dimensional wave packet approach in
hyperspherical coordinates for time-dependent reactive scattering calculations of triatomic …