使用改进的光滑外推标度方法作为吸收势及其应用。

Use of modified smooth exterior scaling method as an absorbing potential and its application.

机构信息

Department of Chemistry, Indian Institute of Technology, Guwahati 781039, Assam, India.

出版信息

J Chem Phys. 2011 Mar 7;134(9):094301. doi: 10.1063/1.3558737.

Abstract

Here, we propose a new complex path to achieve better absorption during the propagation of a wavepacket. In the proposed modified smooth exterior scaling (SES) method, scaling function, θ(x), has been chosen as a real function rather than complex (as used in a conventional smooth exterior scaling method). It greatly reduces the artificial reflections from the boundary edges. This modified SES method is applied to study the multiphoton dissociation of H(2)(+) in intense laser field. The resonance states are calculated accurately.

摘要

在这里，我们提出了一种新的复杂路径，以在波包传播过程中实现更好的吸收。在所提出的改进的平滑外部缩放（SES）方法中，缩放函数θ(x)被选择为实函数而不是复函数（如在传统的平滑外部缩放方法中使用的那样）。这大大减少了边界边缘的人为反射。该改进的 SES 方法被应用于研究强激光场中 H(2)(+)的多光子离解。准确地计算了共振态。