Ultrafast laser induced charge migration with de- and re-coherences in polyatomic molecules: A general method with application to pyrene.

Abstract

We develop a general method to study ultrafast laser induced charge migration in molecules, which includes both electronic and nuclear dynamics. The method can be applied to relatively large systems. A detailed analysis of charge migration in pyrene is performed. Decoherences and recoherences of charge migration in pyrene are found and explained in terms of nuclear motions.