Reaction resonances, or transiently stabilized transition-state structures, have proven highly
challenging to capture experimentally. Here, we used the highly sensitive H atom Rydberg …

Large scale coupled-cluster benchmark calculations have been carried out to determine the
barrier height of the F+ H 2 reaction as accurately as possible. The best estimates for the …

The concept of transition state has played a crucial role in the field of chemical kinetics and
reaction dynamics. Resonances in the transition state region are important in many chemical …

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 …

A detailed comparison of the time-dependent wave packet method using the split operator
propagator and recently introduced Chebyshev real wave packet approach for calculating …

Experimental and theoretical results are presented on the spectroscopy of transition states
and pre-reactive van der Waals wells using negative ion photodetachment. Several …

Reaction resonances are transiently trapped quantum states along the reaction coordinate
in the transition state region of a chemical reaction that could have profound effects on the …

A three dimensional potential energy surface for the F+ H 2→ HF+ H reaction has been
computed by the spin unrestricted coupled cluster method with singles, doubles, triples, and …

We present the results of new ab initio calculations of the three FH 2 potential energy
surfaces (PESs) which are necessary for a complete description of the F+ H 2 reaction …

We propose a new method for the direct and efficient evaluation of the Felix Smith's lifetime
Q matrix for reactive scattering problems. Simultaneous propagation of the solution to a set …