Theory of coupled electronic and nuclear quantum dynamics in high-harmonic generation

• Applicant: Professor Dr. Volker Engel
• Subject Area: Optics, Quantum Optics and Physics of Atoms, Molecules and Plasmas
• Term: from 2009 to 2013
• Project identifier: Deutsche Forschungsgemeinschaft (DFG) - Project number 156174975

Interactions of molecules with strong laser fields have attracted many researchers in recent years, and in particular high-harmonic generation from molecules is a growing field with fascinating applications. From a theoretical point of view, the most direct quantum description of such phenomena needs the (numerical) solution of the time-dependent Schrödinger equation for the coupled electronic and nuclear motion in the external field. This, however, is not possible with todays available methodology and computer resources. Therefore, reduced-dimensional model systems have been employed which mostly treat diatomic molecules. It is the goal of this project to elaborate on these models, compare with other approaches and develop new models in order to characterize the importance of electronic/nuclear coupling in the context of multiphoton processes. As a general strategy, the electronic/nuclear interactions will be parameterized in such a way to lead to realistic adiabatic potential energy curves. One central part of the project is high-harmonic generation from water molecules, where nuclear motion is highly important due to the rapidly moving protons, while at the same time strong signatures of the electronic structure are expected.

• DFG Programme: Research Grants
• Participating Person: Professor Dr. Manfred Lein