Efficient low computational cost hybrid explicit four-step method with vanished phase-lag and its first, second, third and fourth derivatives for the numerical integration of the Schrodinger equation

被引:53
作者
Alolyan, Ibraheem [1 ]
Simos, T. E. [1 ,2 ,3 ]
机构
[1] King Saud Univ, Coll Sci, Dept Math, Riyadh 11451, Saudi Arabia
[2] Univ Peloponnese, Fac Econ Management & Informat, Dept Informat & Telecommun, Sci Computat Lab, Tripolis 22100, Greece
[3] Amfithea Paleon Faliron, Athens 17564, Greece
关键词
Schrodinger equation; Multistep methods; Predictor-corrector methods; Explicit methods; Interval of periodicity; P-stability; Phase-lag; Phase-fitted; Derivatives of the phase-lag; TRIGONOMETRICALLY-FITTED FORMULAS; INITIAL-VALUE PROBLEMS; RUNGE-KUTTA METHODS; SYMMETRIC MULTISTEP METHODS; PREDICTOR-CORRECTOR METHOD; LONG-TIME INTEGRATION; NUMEROV-TYPE METHOD; HIGH-ORDER; SYMPLECTIC METHODS; MULTIDERIVATIVE METHODS;
D O I
10.1007/s10910-015-0522-6
中图分类号
O6 [化学];
学科分类号
0703 ;
摘要
Based on an optimized explicit four-step method, a new hybrid high algebraic order four-step method is introduced in this paper. For this new hybrid method, we investigate the procedure of vanishing of the phase-lag and its first, second, third and fourth derivatives. More specifically, we investigate: (1) the construction of the new method, i.e. the computation of the coefficients of the method in order its phase-lag and first, second, third and fourth derivatives of the phase-lag to be eliminated, (2) the definition of the local truncation error, (3) the analysis of the local truncation error, (4) the stability (interval of periodicity) analysis (using scalar test equation with frequency different than the frequency of the scalar test equation for the phase-lag analysis). Finally, we investigate computationally the new obtained method by applying it to the numerical solution of the resonance problem of the radial Schrodinger equation. The efficiency of the new developed method is tested comparing this method with well known methods of the literature but also using very recently developed methods.
引用
收藏
页码:1808 / 1834
页数:27
相关论文
共 119 条
[1]   A new family of symmetric linear four-step methods for the efficient integration of the Schrodinger equation and related oscillatory problems [J].
Alolyan, I. ;
Anastassi, Z. A. ;
Simos, T. E. .
APPLIED MATHEMATICS AND COMPUTATION, 2012, 218 (09) :5370-5382
[2]   A hybrid type four-step method with vanished phase-lag and its first, second and third derivatives for each level for the numerical integration of the Schrodinger equation [J].
Alolyan, Ibraheem ;
Simos, T. E. .
JOURNAL OF MATHEMATICAL CHEMISTRY, 2014, 52 (09) :2334-2379
[3]   A family of explicit linear six-step methods with vanished phase-lag and its first derivative [J].
Alolyan, Ibraheem ;
Simos, T. E. .
JOURNAL OF MATHEMATICAL CHEMISTRY, 2014, 52 (08) :2087-2118
[4]   A Runge-Kutta type four-step method with vanished phase-lag and its first and second derivatives for each level for the numerical integration of the Schrodinger equation [J].
Alolyan, Ibraheem ;
Simos, T. E. .
JOURNAL OF MATHEMATICAL CHEMISTRY, 2014, 52 (03) :917-947
[5]   A new four-step hybrid type method with vanished phase-lag and its first derivatives for each level for the approximate integration of the Schrodinger equation [J].
Alolyan, Ibraheem ;
Simos, T. E. .
JOURNAL OF MATHEMATICAL CHEMISTRY, 2013, 51 (09) :2542-2571
[6]   A family of high-order multistep methods with vanished phase-lag and its derivatives for the numerical solution of the Schrodinger equation [J].
Alolyan, Ibraheem ;
Simos, T. E. .
COMPUTERS & MATHEMATICS WITH APPLICATIONS, 2011, 62 (10) :3756-3774
[7]   A family of exponentially-fitted Runge-Kutta methods with exponential order up to three for the numerical solution of the Schrodinger equation [J].
Anastassi, Z. A. ;
Simos, T. E. .
JOURNAL OF MATHEMATICAL CHEMISTRY, 2007, 41 (01) :79-100
[8]   A parametric symmetric linear four-step method for the efficient integration of the Schrodinger equation and related oscillatory problems [J].
Anastassi, Z. A. ;
Simos, T. E. .
JOURNAL OF COMPUTATIONAL AND APPLIED MATHEMATICS, 2012, 236 (16) :3880-3889
[9]   Numerical multistep methods for the efficient solution of quantum mechanics and related problems [J].
Anastassi, Z. A. ;
Simos, T. E. .
PHYSICS REPORTS-REVIEW SECTION OF PHYSICS LETTERS, 2009, 482 :1-240
[10]   A family of two-stage two-step methods for the numerical integration of the Schrodinger equation and related IVPs with oscillating solution [J].
Anastassi, Z. A. ;
Simos, T. E. .
JOURNAL OF MATHEMATICAL CHEMISTRY, 2009, 45 (04) :1102-1129