Low-energy states of the CH2radical
- 1 January 1964
- journal article
- research article
- Published by Taylor & Francis in Molecular Physics
- Vol. 8 (3) , 201-212
- https://doi.org/10.1080/00268976400100241
Abstract
This paper describes theoretical calculations of the energy of low-lying, electronic states of CH2 as functions of HCH angle. The method uses Hurley's modification of Moffitt's method of Atoms in Molecules to allow for intra-atomic electron correlation. The results are in agreement with experiment, giving a linear 3Σ g - ground state. The first excited state is a bent 1A1 state which lies no more than 0·6 ev above the ground state.Keywords
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