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arXiv · 1302.1453

Steps in the exact time-dependent potential energy surface

Ali Abedi·Federica Agostini·Yasumitsu Suzuki·E. K. U. Gross
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Abstract

We study the exact Time-Dependent Potential Energy Surface (TDPES) in the presence of strong non-adiabatic coupling between the electronic and nuclear motion. The concept of the TDPES emerges from the exact factorization of the full electron-nuclear wave-function [A. Abedi, N. T. Maitra, and E. K. U. Gross, Phys. Rev. Lett. \textbf{105}, 123002 (2010)]. Employing a 1D model-system, we show that the TDPES exhibits a dynamical step that bridges between piecewise adiabatic shapes. We analytically investigate the position of the steps and the nature of the switching between the adiabatic pieces of the TDPES.

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Ali Abedi, Federica Agostini, Yasumitsu Suzuki, E. K. U. Gross. 2013-02-06. Steps in the exact time-dependent potential energy surface. https://arxiv.org/abs/1302.1453

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