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BY-NC-ND 3.0 license Open Access Published by De Gruyter June 2, 2014

Ab-initio-Berechnung von Molekülen. II / Ab-initio-Calculation of Molecules. II.

W Ulmer

Abstract

By means of the FSGO-method calculations of the molecules CH3NH2 and CH3OH have been performed. A recent method, proposed by Lim and Whitehead in 1967, which is very similar to the FSGO-method, has been applied to CO respectively CH3NH2 . A comparison with the exact SCF-theory has shown that the method of Lim and Whitehead can only be used for the calculation of ionization energies.

Received: 1972-8-14
Published Online: 2014-6-2
Published in Print: 1972-12-1

© 1946 – 2014: Verlag der Zeitschrift für Naturforschung

This work is licensed under the Creative Commons Attribution-NonCommercial-NoDerivatives 3.0 License.

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