A 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,Department of Medical Research, China Medical University Hospital
[2] Institute of Industrial Ecology UB RAS,Data Recovery Key Laboratory of Sichuan Province
[3] China Medical University,Section of Mathematics, Department of Civil Engineering
[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; 02.60; 02.70.Bf; 95.10.Ce; 95.10.Eg; 95.75.Pq; 65L05;
D O I：
暂无
中图分类号：
学科分类号：
摘要：
A new phase-fitting singularly P-Stable economical two–step method (which is symbolized as PHAFITECON2STEP) is produced in this paper. The newly introduced method has eliminated phase-lag and its derivatives up to order seven and can be applied to initial or boundary value problems with oscillating and/or periodical solutions. The new method is applied to problems in Quantum Chemistry. We call the newly produced method economical since to achieve the highest possible algebraic order, uses the minimum number of function evaluations per step.
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页码：1 / 48
页数：47
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