A multistep conditionally P-stable method with phase properties of high order for problems in quantum 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,Laboratory of Inter
[3] Ulyanovsk State Technical University,Disciplinary Problems in Clean Energy
[4] China Medical University Hospital,Department of Medical Research
[5] China Medical University,Data Recovery Key Laboratory of Sichuan Province
[6] Neijiang Normal University,Section of Mathematics, Department of Civil Engineering
[7] 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 new two-step method, for the numerical solution of problems in quantum chemistry, is introduced in the present paper. The new algorithm is conditionally P-Stable and an economical scheme. It has vanished phase–lag and it’s first to fourth derivatives. We use for the new scheme the symbol LOWPF4DECN2ST. We apply the newly introduced method to problems in Quantum Chemistry. The new scheme is defined as economical since it uses 4 function evaluations per step in order to achieve an algebraic order (AOR) of 10.
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页码：637 / 665
页数：28
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