Many gas-phase chemical reactions proceed via reaction intermediates, supported by
potential wells. The characteristics of such complex-forming reactions differ drastically from …

Nonadiabatic transitions are one of the most important quantum mechanical phenomena in
chemical reaction dynamics. This is because the most interesting chemical and even …

The recently introduced full multiple spawning (FMS) method for molecular dynamics
beyond the Born–Oppenheimer approximation is tested against exact numerical solution of …

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 …

In recent years, a large number of linear and nonlinear laser-based diagnostic techniques
for nonintrusive measurements of species concentrations, temperatures, and gas velocities …

The theoretical methodology for including the effects of the geometric phase in quantum
reactive scattering and bound-state calculations is reviewed. Two approaches are …

The geometric phase is shown to control the outcome of an ultracold chemical reaction. The
control is a direct consequence of the sign change on the interference term between two …

The focus of this excellent textbook is the topic of molecular reaction dynamics. The chapters
are all written by internationally recognised researchers and, from the outset, the …

A new potential energy surface for ozone is developed. It is based on high level ab initio
data and includes an accurate description of the barrier region. Full quantum reactive …

The general vector potential (gauge theory) approach for including geometric phase effects
in accurate three-dimensional quantum scattering calculations in symmetrized …