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Determination of resonance energies and nonradiative lifetimes of rotationally predissociating diatomic molecules: The B2Σ− state of CH

✍ Scribed by Michael Hehenberger; Nils Elander


Publisher
John Wiley and Sons
Year
2009
Tongue
English
Weight
246 KB
Volume
12
Category
Article
ISSN
0020-7608

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The potential curves for the X 'II, A %+ and B 2A states of the CF molecule have been determined using large Gaussian basis sets and accounting for electron correlation with the CASSCF/multireference CI method. The transition moment function between the X \*II and A %+ state is found to undergo a dr