精确含时势能面中的台阶
Steps in the exact time-dependent potential energy surface
摘要：
本文研究了电子与原子核之间存在强非绝热耦合时的精确含时势能面。TDPES的概念来自于全电子核波函数的精确因式分解[A. Abedi，N. T. Maitra和E. K.联合总，物理修订版Lett \textbf{105}，123002（2010）]。采用一维模型系统，我们表明，TDPES表现出动态步骤，分段绝热形状之间的桥梁。我们分析调查的步骤和TDPES的绝热件之间的切换的性质的位置。
英文摘要：
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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