A hybrid method with phase-lag and derivatives equal to zero for the numerical integration of the Schrodinger equation

被引：61
|
作者：
Konguetsof, A. [1 ]
机构：
[1] Technol Educ Inst Kavala, Sch Technol Applicat, Dept Sci, Kavala 65404, Greece
来源：
JOURNAL OF MATHEMATICAL CHEMISTRY | 2011年 / 49卷 / 07期
关键词：
Multistep methods; Explicit methods; Hybrid methods; Phase-lag; Phase-fitted; Schrodinger equation; RUNGE-KUTTA METHODS; TRIGONOMETRICALLY-FITTED FORMULAS; PREDICTOR-CORRECTOR METHODS; INITIAL-VALUE PROBLEMS; SYMMETRIC MULTISTEP METHODS; NUMEROV-TYPE METHOD; EXPONENTIAL-FITTING METHODS; FINITE-DIFFERENCE METHOD; LONG-TIME INTEGRATION; HIGH-ORDER;
D O I：
10.1007/s10910-011-9824-5
中图分类号：
O6 [化学];
学科分类号：
0703 ;
摘要：
A family of hybrid methods with algebraic order eight is proposed, with phase-lag and its first four derivatives eliminated. We investigate the behavior of the new algorithm and the property of the local truncation error and a comparison with other methods leads to conclusions and remarks about its accuracy and stability. The newly created method, as well as another Numerov-type methods, are applied to the resonance problem of the radial Schrodinger equation. The eigenenergies approximations, which are obtained prove the superiority of the new two-step method.
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页码：1330 / 1356
页数：27
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