Steps in the exact time-dependent potential energy surface
Chemical Physics
2013-02-07 v1 Other Condensed Matter
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.
Cite
@article{arxiv.1302.1453,
title = {Steps in the exact time-dependent potential energy surface},
author = {Ali Abedi and Federica Agostini and Yasumitsu Suzuki and E. K. U. Gross},
journal= {arXiv preprint arXiv:1302.1453},
year = {2013}
}
Comments
5 pages, 3 figures