AN MCSCF + CI CALCULATION OF THE FIVE LOWEST BOUND STATES OF CN

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1976

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Ohio State University

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The electronic potential curves for the $X^{2}\Sigma^{+}, B^{2}\Sigma^{+}, A^{2}\Pi$, lowest $^{4}\Sigma^{+}$, and lowest $^{4}\Pi$ states of CN have been calculated. The calculation used approximately 50 configurations in an MCSCF calculation, followed by nearly 1000 configurations in a CI calculation. The dissociation energies, electronic dipole moments, allowed electronic transition moments and spectroscopic constants will be presented and compared with experiment and previous calculations where available.

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Author Institution: Ames Research Center, NASA

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