Search

Article

x

留言板

尊敬的读者、作者、审稿人, 关于本刊的投稿、审稿、编辑和出版的任何问题, 您可以本页添加留言。我们将尽快给您答复。谢谢您的支持!

姓名
邮箱
手机号码
标题
留言内容
验证码

Numerical solution of the three-dimensional time-dependent Schr?dinger equation and its application

Zeng Si-Liang Zou Shi-Yang Wang Jian-Guo Yan Jun

Numerical solution of the three-dimensional time-dependent Schr?dinger equation and its application

Zeng Si-Liang, Zou Shi-Yang, Wang Jian-Guo, Yan Jun
PDF
Get Citation
Metrics
  • Abstract views:  3823
  • PDF Downloads:  1636
  • Cited By: 0
Publishing process
  • Received Date:  17 February 2009
  • Accepted Date:  24 March 2009
  • Published Online:  20 December 2009

Numerical solution of the three-dimensional time-dependent Schr?dinger equation and its application

  • 1. (1)北京应用物理与计算数学研究所,北京 100088; (2)北京应用物理与计算数学研究所,北京 100088;北京大学应用物理与技术研究中心,北京 100871

Abstract: We present an accurate and effective pseudospectral method for solving the three-dimensional time-dependent Schrdinger equation involving the Coulomb potential. In this method, the Hamiltonian is evaluated by exploiting the two representations of the wave function. One is a grid representation, in which the angular dependence of the wave function is expanded in a two-dimensional Gauss-Legendre-Fourier grid in the coordinate space of polar and azimuthal angles. The radial coordinate is discretized using a discrete variable representation constructed from the Coulomb wave function (CWDVR). The other is a spectral representation, in which the wave function is expanded in a set of square integrable functions chosen as the eigenfunctions of a zero-order Hamiltonian. The time of propagation of the wave function is calculated using the well-known second-order split-operator method implemented through the transform between the grid and spectral representations. Calculations on the photo-absorption strength of hydrogen atom are presented to demonstrate the accuracy of present method in low energy limit by the time-dependent wave-packet propagation method. As another example, the present method is applied to multiphoton ionization of H atom. For a wide range of field parameters, ionization rates calculated using the present method are in excellent agreement with those from other accurate numerical calculations. The new algorithm will be found more efficient than the close coupled wave packet method using CWDVR and/or methods based on evenly spaced grids.

Catalog

    /

    返回文章
    返回