CaH* potential curves: a simple theoretical treatment of intershell effects
- 28 October 1989
- journal article
- Published by IOP Publishing in Journal of Physics B: Atomic, Molecular and Optical Physics
- Vol. 22 (20) , 3155-3165
- https://doi.org/10.1088/0953-4075/22/20/008
Abstract
Potential energy curves of the first 13 electronic states of CaH (in symmetries Sigma , Pi and Delta ) have been calculated. The calculation method consists of a limited configuration interaction (CI) with an empirical correction via an effective Hamiltonian. The correction accounts, in a very simple way, for the various intershell effects (in Ca), which are not taken into account by the authors' CI calculation. It leads to a good agreement with the available spectroscopic data on the CaH molecular states.Keywords
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