• Title of article

    Adaptive artificial boundary condition for the two-level Schrِdinger equation with conical crossings

  • Author/Authors

    Han، نويسنده , , Houde and Zhang، نويسنده , , Zhiwen، نويسنده ,

  • Issue Information
    روزنامه با شماره پیاپی سال 2011
  • Pages
    16
  • From page
    1319
  • To page
    1334
  • Abstract
    In this paper, we present an adaptive approach to design the artificial boundary conditions for the two-level Schrِdinger equation with conical crossings on the unbounded domain. We use the windowed Fourier transform to obtain the local wave number information in the vicinity of artificial boundaries, and adopt the operator splitting method to obtain an adaptive local artificial boundary condition. Then reduce the original problem into an initial boundary value problem on the bounded computational domain, which can be solved by the finite difference method. By this numerical method, we observe the surface hopping phenomena of the two-level Schrِdinger equation with conical crossings. Several numerical examples are provided to show the accuracy and convergence of the proposed method.
  • Keywords
    Conical crossings , Artificial boundary condition , Surface hopping method , Operator splitting method , Unbounded domain , Schrِdinger equation
  • Journal title
    Journal of Computational Physics
  • Serial Year
    2011
  • Journal title
    Journal of Computational Physics
  • Record number

    1483125