New second-order exponentially and trigonometrically fitted symplectic integrators for the numerical solution of the time-independent Schrödinger equation

DOI10.1007/s10910-006-9129-2zbMath1132.81344MaRDI QIDQ2468693

Theodore E. Simos, Th. Monovasilis

Publication date: 25 January 2008

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

Full work available at URL: https://doi.org/10.1007/s10910-006-9129-2

zbMATH Keywords

Schrödinger equation; symplectic integrators; trigonometric Fitting; exponential Fitting; Hamiltonian canonical equation

Mathematics Subject Classification ID

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

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

65P10: Numerical methods for Hamiltonian systems including symplectic integrators

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