Session V35: Focus Session: DFT VII: Time-Dependent Processes I: Driven Systems
8:00 AM–11:00 AM, Thursday, March 1, 2012
Room: 107B
Sponsoring Unit:
DCP
Chair: Adam Wasserman, Purdue University
Abstract ID: BAPS.2012.MAR.V35.2
Abstract: V35.00002 : Exact factorization of the time-dependent electron-nuclear wavefunction: Time-dependent potential energy surface
8:36 AM–8:48 AM
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Abstract 
Authors:
Ali Abedi
(Max-Planck-Institut f\"ur Mikrostrukturphysik Weinberg 2, D-06120 Halle, Germany)
Federica Agostini
(Max-Planck-Institut f\"ur Mikrostrukturphysik Weinberg 2, D-06120 Halle, Germany)
Neepa T. Maitra
(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
(Max-Planck-Institut f\"ur Mikrostrukturphysik Weinberg 2, D-06120 Halle, Germany)
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.
To cite this abstract, use the following reference: http://meetings.aps.org/link/BAPS.2012.MAR.V35.2