Steps in the exact time-dependent potential energy surface

2013/02/06 by Ali Abedi, Abedi, Ali, Federica Agostini +5
Physics and Astronomy · #Advanced Chemical Physics Studies #Chemical Physics (physics.chem-ph) #FOS: Physical sciences #Other Condensed Matter (cond-mat.other) #Quantum, superfluid, helium dynamics #Spectroscopy and Quantum Chemical Studies #cond-mat.other #physics.chem-ph

paper · pdf · doi:10.48550/arxiv.1302.1453

5 pages, 3 figures

arxiv created 2013/02/06 · openalex publication_date 2013/02/06 · arxiv updated 2013/02/07 · openalex created_date 2025/10/10 · openalex updated_date 2026/07/28

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. 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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