CALCULATION OF RYDBERG LEVELS IN NO AND BF

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1964

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Ohio State University

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A non-empirical calculation of Rydberg levels of the NO molecule has been carried out. Each Rydberg state is represented by a configuration which comprises an outer orbital and core orbitals which are constrained to be the LCAO MO SCF orbitals of either the NO molecule or the $NO^{+}$ ion. Both calculations give very good agreement with the experimental excitation energies and support the interpretation in terms of single electron denomination given by E. Miecher and co-workers for the Rydberg states. The same procedure applied to the BF molecule enables us to suggest an alternative assignment for some bands previously observed and interpreted by Robinson; in particular, one $\Sigma---\Sigma$ system is reinterpreted as a triplet instead of a singlet system.

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Author Institution: Centre de M\'{e}canique Ondulatolre Appliqu\'{e}e

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