Exact factorization of the time-dependent electron-nuclear wavefunction: Time-dependent potential energy surface

ORAL

Abstract

We have recently proved an exact decomposition of the electronic and nuclear degrees of freedom (Phys, Rev. Lett. 105 123002 (2010)) and introduced a set of coupled equations of motion for the electrons and nuclei that describe the evolution of the complete electron-nuclear system. The nuclear equation is particularly apealing being a Schroedinger 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. By studying physically different cases, we demonstrate that the TDPES is a powerful tool to investigate molecular processes.

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Authors

  • Ali Abedi

    Max-Planck-Institut f\"ur Mikrostrukturphysik, Max-Planck-Institut f\"ur Mikrostrukturphysik Weinberg 2, D-06120 Halle, Germany

  • Federica Agostini

    Max-Planck-Institut f\"ur Mikrostrukturphysik, Max-Planck-Institut f\"ur Mikrostrukturphysik Weinberg 2, D-06120 Halle, Germany

  • Neepa T. Maitra

    Hunter College, CUNY, Hunter College of the City University of New York, Hunter College, City University of New York, Department of Physics and Astronomy, Hunter College and the City University of New York, 695 Park Avenue, New York, New York 10065, USA

  • E.K.U. Gross

    MPI Halle, Germany, Max-Planck-Institute, Weinberg 2, Halle (Saale), Germany, Max-Planck-Institut f\"ur Mikrostrukturphysik, Max-Planck-Institut f\"ur Mikrostrukturphysik Weinberg 2, D-06120 Halle, Germany, Max Planck Institute of Microstructure Physics, Max Planck Institute of Microstructure Physics, Weinberg 2, 06120 Halle (Saale), Germany, Max Planck Institute of Microstructure Physics, Weinberg 2, D - 06120 Halle, Germany