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