A family of Numerov-type exponentially fitted methods for the numerical integration of the Schrodinger equation

被引:29
|
作者
Simos, TE [1 ]
Williams, PS
机构
[1] Democritus Univ Thrace, Sch Engn, Dept Civil Engn, Sect Math, GR-67100 Xanthi, Greece
[2] London Guildhall Univ, Dept Comp Informat Syst & Math, London EC3N 1JY, England
来源
COMPUTERS & CHEMISTRY | 1997年 / 21卷 / 06期
关键词
Schrodinger equation; predictor-corrector methods; Numerov-type methods; exponentially fitted methods; resonance problem; bound-states problem; COMPUTING EIGENVALUES; MULTISTEP METHODS; FITTING METHODS;
D O I
10.1016/S0097-8485(97)00024-7
中图分类号
O6 [化学];
学科分类号
0703 ;
摘要
A family of predictor-corrector exponential Numerov-type methods is developed for the numerical integration of the one-dimensional Schrodinger equation. The Numerov-type methods considered contain free parameters which allow it to be fitted to exponential functions. The new fourth algebraic order methods are very simple and integrate more exponential functions than both the well-known fourth order Numerov-type exponentially fitted methods and the sixth algebraic order Runge-Kutta-type methods. Numerical results also indicate that the new methods are much more accurate than the other exponentially fitted methods mentioned above. Copyright (C) 1998 Elsevier Science Ltd.
引用
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页码:403 / 417
页数:15
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