Schroedinger's radial equation - Solution by extrapolation

A high-accuracy numerical method for the solution of a 1D Schroedinger equation that is suitable for a diatomic molecule, obtained by combining a finite-difference method with iterative extrapolation to the limit, is presently shown to have several advantages over more conventional methods. Initial...

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Veröffentlicht in:	Journal of quantitative spectroscopy & radiative transfer 1992-05, Vol.47 (5, Ma), p.391-399
Hauptverfasser:	Goorvitch, D., Galant, D. C.
Format:	Artikel
Sprache:	eng
Schlagworte:	Atomic And Molecular Physics
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container_title	Journal of quantitative spectroscopy & radiative transfer
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creator	Goorvitch, D. Galant, D. C.
description	A high-accuracy numerical method for the solution of a 1D Schroedinger equation that is suitable for a diatomic molecule, obtained by combining a finite-difference method with iterative extrapolation to the limit, is presently shown to have several advantages over more conventional methods. Initial guesses for the term values are obviated, and implementation of the algorithm is straightforward. The method is both less sensitive to round-off error, and faster than conventional methods for equivalent accuracy. These advantages are illustrated through the solution of Schroedinger's equation for a Morse potential function suited for HCl and a numerically derived Rydberg-Klein-Rees potential function for the X 1Sigma(+) state of CO.
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source	Access via ScienceDirect (Elsevier); NASA Technical Reports Server
subjects	Atomic And Molecular Physics
title	Schroedinger's radial equation - Solution by extrapolation
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