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
Link To Document :
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