Closed Newton-Cotes trigonometrically-fitted formulae of high order for the numerical integration of the Schrödinger equation

DOI10.1007/s10910-007-9322-yzbMath1217.65054OpenAlexW2051030570MaRDI QIDQ551947

Theodore E. Simos

Publication date: 21 July 2011

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

Full work available at URL: https://doi.org/10.1007/s10910-007-9322-y

zbMATH Keywords

numerical methodsSchrödinger equationmultistep methodssymplectic integratorsorbital problemsenergy preservationtrigonometric fittingclosed Newton-Cotes differential methods

Mathematics Subject Classification ID

Closed and approximate solutions to the Schrödinger, Dirac, Klein-Gordon and other equations of quantum mechanics (81Q05) Numerical integration (65D30)

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