Abstract
In chemical reaction dynamics, much of our predictive ability relies on propagating nuclear dynamics on a single Born-Oppenheimer potential energy surface. Yet the failure of the adiabatic approximation, due to the change in the electronic wave function near the transition state, can unexpectedly favor one chemical reaction pathway over another.
© 1992 Optical Society of America
PDF ArticleMore Like This
Tadashi Okada, Shinya Nishikawa, Kenji Kanaji, and Noboru Mataga
ThB5 International Conference on Ultrafast Phenomena (UP) 1990
Kazuo Takatsuka
LTu1H.2 Laser Science (LS) 2012
P.O.J. Scherer
FC4 International Conference on Ultrafast Phenomena (UP) 1992