A phase-fitting, first and second derivatives phase-fitting singularly P-stable economical two-step method for problems in chemistry

被引：14
作者：
Sun, Bin [1 ,2 ]
Lin, Chia-Liang [2 ,3 ]
Simos, T. E. [4 ,5 ,6 ]
机构：
[1] Jingdezhen Ceram Univ, Jingdezhen 333002, Jiangxi, Peoples R China
[2] Huzhou Univ, Huzhou 313000, Zhejiang, Peoples R China
[3] Natl & Kapodistrian Univ Athens, Gen Dept, Euripus Campus, Chalkis 34400, Greece
[4] China Med Univ, Taichung, Taiwan
[5] Neijiang Normal Univ, Data Recovery Key Lab Sichuan Prov, Dongtong Rd 705, Neijiang 641100, Peoples R China
[6] Democritus Univ Thrace, Dept Civil Engn, Sect Math, Xanthi, Greece
来源：
JOURNAL OF MATHEMATICAL CHEMISTRY | 2022年 / 60卷 / 08期
关键词：
Phase-lag; Derivative of the phase-lag; Initial value problems; Oscillating solution; Symmetric; Hybrid; Multistep; Schrodinger equation; RUNGE-KUTTA METHODS; INITIAL-VALUE PROBLEMS; ONE-STEP METHODS; EXPONENTIAL-FITTED METHODS; NOUMEROV-TYPE METHOD; NUMEROV-TYPE METHOD; HIGH-ORDER METHOD; NUMERICAL-SOLUTION; NYSTROM METHODS; OBRECHKOFF METHODS;
D O I：
10.1007/s10910-022-01361-8
中图分类号：
O6 [化学];
学科分类号：
0703 ;
摘要：
A phase-fitting, first and second derivatives phase-fitting method is produced. The new algorithm is singularly P-Stable and belongs to the economic algorithms. The new method is symbolized as PF2DPFN2SPS. It can be used to any problem with periodical and/or oscillating solutions. We chosen to be applied to a well known problem of Quantum Chemistry. The new scheme is an economic one because 5 function evaluations per step are used in order an algebraic order (AOR) of 12 to be achieved.
引用
收藏
页码：1480 / 1504
页数：25
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