THDRK methods with vanished phase-lag and its first derivative for the Schrödinger equation

DOI10.1007/S10910-019-01002-7zbMATH1417.81174OpenAlexW2909050921MaRDI QIDQ2000917FDOQ2000917

Authors Yanping Yang, Kai-Min Wang, Xiong You, Yonglei Fang

Publication date 1 July 2019

Published in Journal of Mathematical Chemistry (Search for Journal in Brave)

Full work available at URL https://doi.org/10.1007/s10910-019-01002-7

zbMATH Keywords

error analysisphase-lag errorthree-derivative Runge-Kutta methodsSchrödinger equation

Mathematics Subject Classification ID

Roundoff error (65G50) Multistep, Runge-Kutta and extrapolation methods for ordinary differential equations (65L06) Closed and approximate solutions to the Schrödinger, Dirac, Klein-Gordon and other equations of quantum mechanics (81Q05) Molecular physics (81V55)

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Cites work

• scientific article; zbMATH DE number 3999169 (Why is no real title available?)
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Cited in

(4)

• Family of phase fitted 3-step second-order BDF methods for solving periodic and orbital quantum chemistry problems
• Two-derivative Runge-Kutta methods with increased phase-lag and dissipation order for the Schrödinger equation
• Optimized integrating factor technique for Schrödinger-like equations
• A new implicit symmetric method of sixth algebraic order with vanished phase-lag and its first derivative for solving Schrödinger's equation

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