A phase-fitting and first derivative phase-fitting singularly P-stable economical two-step method for problems in quantum chemistry

被引：0
作者：
Maxim A. Medvedev
T. E. Simos
机构：
[1] Ural Federal University,Data Recovery Key Laboratory of Sichuan Province
[2] Institute of Industrial Ecology UB RAS,Section of Mathematics, Department of Civil Engineering
[3] China Medical University,undefined
[4] Neijiang Normal University,undefined
[5] Democritus University of Thrace,undefined
来源：
Journal of Mathematical Chemistry | 2022年 / 60卷
关键词：
Phase-lag; Derivative of the phase-lag; Initial value problems; Oscillating solution; Symmetric; Hybrid; Multistep; Schrödinger equation; 65L05;
D O I：
暂无
中图分类号：
学科分类号：
摘要：
A phase-fitting and first derivative phase-fitting method is developed. The new scheme is singularly P-Stable and belongs to the economic algorithms. The new method is symbolized as PF1DPFN2SPS. 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.
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页码：1383 / 1404
页数：21
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