Control of a collision complex via a conical intersection

Abstract

Optimal control theory is applied to prepare excited state wave packets localized in specific regions of a reaction surface which can be used as a sensitive tool to clarify and manipulate characteristic reaction features. In the present example of the Na–H2 collision complex this allows us to study the quantum dynamics in the vicinity of a conical intersection and the population transfer through it in great detail. We could clarify the relaxation mechanism and extract the vibrational distribution of the H2 fragment resulting after the collision. Employing differently shaped laser pulses the ability to control reactions through conical intersections is proven.