Highly efficient, singularly P-stable, and low-cost phase-fitting two-step method of 14th order for problems in chemistry

被引：0
作者：
Chia-Liang Lin
T. E. Simos
机构：
[1] Huzhou University,General Department
[2] National & Kapodistrian University of Athens,Center for Applied Mathematics and Bioinformatics
[3] Gulf University for Science and Technology,Data Recovery Key Laboratory of Sichuan Province
[4] China Medical University,Section of Mathematics, Department of Civil Engineering
[5] Neijiang Normal University,undefined
[6] Democritus University of Thrace,undefined
来源：
Journal of Mathematical Chemistry | 2023年 / 61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：
The phase lag and its first derivative can all vanish when utilising a phase-fitting strategy. Since the new method employs the highest possible algebraic order (AOR) while simultaneously requiring the fewest possible function evaluations (FEvs), it has been termed the economical method. A formula of PF1DPFN142SPS represents this novel approach. The P-Stable method is the one that is being proposed (i.e. infinitely periodic). Numerous issues with periodic and/or oscillating solutions can be addressed with the proposed method. We took this novel strategy to solve the difficult problem of Schrödinger—type coupled differential equations in quantum chemistry. The new tactic is known as a economic algorithm since it requires just 5FEvs at each stage to reach a 14AOR.
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页码：1545 / 1569
页数：24
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