Exponentially fitted symplectic methods for the numerical integration of the Schrödinger equation

DOI10.1007/S10910-004-1468-2MaRDI QIDQ2485887zbMATH OpenOpenAlexFDO

Authors T. Monovasilis, Z. Kalogiratou, T. E. Simos

Publication date 5 August 2005

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

Full work available at URL https://doi.org/10.1007/s10910-004-1468-2

zbMATH Keywords

numerical resultssymplectic methodsexponentially fittedharmonic oscillatorMorse potentialenergy eigenvaluestrigonometrically fittedSchrödinger equation

Mathematics Subject Classification ID

Particular ordinary differential operators (Dirac, one-dimensional Schrödinger, etc.) (34L40) Numerical methods for Hamiltonian systems including symplectic integrators (65P10) Numerical approximation of eigenvalues and of other parts of the spectrum of ordinary differential operators (34L16) Discretization methods and integrators (symplectic, variational, geometric, etc.) for dynamical systems (37M15) Numerical solution of eigenvalue problems involving ordinary differential equations (65L15)

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• High order multistep methods with improved phase-lag characteristics for the integration of the Schrödinger equation
• New four-stages symmetric six-step method with improved phase properties for second order problems with periodical and/or oscillating solutions

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