Excursions on high-dimensional potential energy surfaces
Wednesday, May 4, 2011
CCU Lecture Series
Joel Bowman
Profesor of Chemistry
Emory University
E-mail: jmbowma@emory.edu
Abstract
I will describe recent progress in developing ab initio potential energy
surfaces for complex chemical reactions and molecular complexes. Examples
of dynamics on such potentials will be presented for ³roaming² reactions and
the IR spectrum of H5+, large water clusters and hydrated ions and the "line-list" version of MULTIMODE.