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Hannover 2013 – scientific programme

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MO: Fachverband Molekülphysik

MO 27: Poster 3: Collisions, Electronic Spectroscopy, Energy Transfer, Quantum Chemistry, Molecular Dynamics, Photochemistry, Spectroscopy in He-Droplets

MO 27.5: Poster

Thursday, March 21, 2013, 16:00–18:30, Empore Lichthof

Exact factorization of the time-dependent electron-nuclear wavefunction: Time-dependent potential energy surface — •Elham Khosravi1, Ali Abedi2,3, Alejandro Saenz1, and E. K. U. Gross2,31Humboldt-Universität zu Berlin Institut für Physik, Moderne Optik, Newtonstr. 15, 12489 Berlin — 2Max-Planck Institut fuer Mikrostrukturphysik, Weinberg 2, D-06120 Halle, Germany — 3European Theoretical Spectroscopy Facility (ETSF)

It was recently shown [Phys. Rev. Lett. 105, 123002 (2010)] that the complete wavefunction for a system of electrons and nuclei evolving in a time-dependent external potential can be exactly factorized into an electronic wavefunction and a nuclear wavefunction. The concepts of an exact time-dependent potential energy surface (TDPES) and exact time-dependent vector potential emerge naturally from the formalism. The resulting nuclear equation is particularly appealing. It is a Schrödinger equation with a time-dependent potential energy surface (TDPES) and a time-dependent vector potential as rigorous concepts, mediating the coupling between the nuclear and the electronic degrees of freedom in a formally exact way. Here we study the concept of the exact TDPESs for the hydrogen molecular ion in a laser field in comparison with the conventional field-dressed surfaces and demonstrate the significance of this concept as a powerful tool in analyzing multi-photon processes.

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