Theoretical determination of the electronic ground state of the MgC molecule

The Astrophysical Journal (Impact Factor: 6.73). 01/1995; 439. DOI: 10.1086/175241

ABSTRACT Results of generalized valence bond (GVB) plus configuratiuon
interaction (CI) calculations for the potential curves and spectroscopic
constants of the two lowest lying electronic states of the MgC molecule
are presented. The (3)Sigma- state was found to be the ground
state but with the (5)Sigma- state lying very close above.
The small difference in energy and the similarity of the rotational and
vibrational spectroscopic constants must be carefully taken into account
in any experimental search for the MgC molecule.

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