High order closed Newton-Cotes exponentially and trigonometrically fitted formulae as multilayer symplectic integrators and their application to the radial Schrödinger equation

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DOI10.1007/s10910-011-9965-6zbMath1403.81016OpenAlexW1998294386MaRDI QIDQ714674

Theodore E. Simos

Publication date: 11 October 2012

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

Full work available at URL: https://doi.org/10.1007/s10910-011-9965-6

zbMATH Keywords

numerical methods resonances multistep methods symplectic integrators exponential fitting radial Schrödinger equation orbital problems energy preservation trigonometric fitting closed Newton-Cotes differential methods

Mathematics Subject Classification ID

Newton-type methods (49M15) Particular ordinary differential operators (Dirac, one-dimensional Schrödinger, etc.) (34L40) Closed and approximate solutions to the Schrödinger, Dirac, Klein-Gordon and other equations of quantum mechanics (81Q05) Numerical methods for initial value problems involving ordinary differential equations (65L05)

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