Potential-Energy Surfaces of CH3+ and CH3−
- 1 February 1969
- journal article
- conference paper
- Published by AIP Publishing in The Journal of Chemical Physics
- Vol. 50 (3) , 1443-1448
- https://doi.org/10.1063/1.1671209
Abstract
The possibility of decribing accurate Hartree–Fock energy surfaces for CH3+ and CH3− is discussed. The effect of the inclusion of a d‐Gaussian‐type function (GTF) on the potential‐energy surface is studied using basis sets composed of 52 and 58 GTF.Keywords
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