New high order multiderivative explicit four-step methods with vanished phase-lag and its derivatives for the approximate solution of the Schrödinger equation. I: construction and theoretical analysis

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Publication:1936972

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DOI10.1007/s10910-012-0074-yzbMath1270.81083MaRDI QIDQ1936972

Theodore E. Simos

Publication date: 11 February 2013

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

Full work available at URL: https://doi.org/10.1007/s10910-012-0074-y

zbMATH Keywords

Schrödinger equation; phase-lag; numerical solution; multistep methods; derivatives of the phase-lag; interval of periodicity; phase-fitted; Obrechkoff methods; multiderivative methods; \(p\)-stability

Mathematics Subject Classification ID

81Q05: Closed and approximate solutions to the Schrödinger, Dirac, Klein-Gordon and other equations of quantum mechanics

65L06: Multistep, Runge-Kutta and extrapolation methods for ordinary differential equations

81-08: Computational methods for problems pertaining to quantum theory

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