Numerical solutions of the time-dependent Schrodinger equation with position-dependent effective mass

被引:2
作者
Gao, Yijin [1 ]
Mayfield, Jay [1 ]
Luo, Songting [1 ]
机构
[1] Iowa State Univ, Dept Math, Ames, IA 50011 USA
基金
美国国家科学基金会;
关键词
asymptotic Green's function; effective mass; exponential integration; fast Fourier transform; Krylov subspace; Schrodinger equation; WKBJ; KRYLOV SUBSPACE METHOD; HUYGENS SWEEPING METHODS; FORM-PRESERVING TRANSFORMATIONS; PERFECTLY MATCHED LAYER; FUNDAMENTAL SOLUTION; HELMHOLTZ EQUATIONS; MAXWELLS EQUATIONS; INTEGRATION; APPROXIMATIONS; ALGORITHM;
D O I
10.1002/num.23006
中图分类号
O29 [应用数学];
学科分类号
070104 ;
摘要
Numerical solution of the time-dependent Schrodinger equation with a position-dependent effective mass is challenging to compute due to the presence of the non-constant effective mass. To tackle the problem we present operator splitting-based numerical methods. The wavefunction will be propagated either by the Krylov subspace method-based exponential integration or by an asymptotic Green's function-based time propagator. For the former, the wavefunction is given by a matrix exponential whose associated matrix-vector product can be approximated by the Krylov subspace method; and for the latter, the wavefunction is propagated by an integral with retarded Green's function that is approximated asymptotically. The methods have complexity O(NlogN)$$ O\left(N\log N\right) $$ per step with appropriate algebraic manipulations and fast Fourier transform, where N$$ N $$ is the number of spatial points. Numerical experiments are presented to demonstrate the accuracy, efficiency, and stability of the methods.
引用
收藏
页码:3222 / 3245
页数:24
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