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

Authors:
Houde Han;Zhiwen Zhang
Affiliations:
Department of Mathematical Sciences, Tsinghua University, Beijing 100084, PR China;Department of Mathematical Sciences, Tsinghua University, Beijing 100084, PR China
Venue:
Journal of Computational Physics
Year:
2011

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Abstract

In this paper, we present an adaptive approach to design the artificial boundary conditions for the two-level Schrodinger 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 Schrodinger equation with conical crossings. Several numerical examples are provided to show the accuracy and convergence of the proposed method.