Invariant Relations for Molecular Constants
of Diatomic Molecules in Various Electronic States

V. I. Tyulin and V. K. Matveev

Faculty of Chemistry, Moscow State University, Moscow, 119899 Russia

Received November 16, 1995

Abstract—Invariant relations between the molecular constants of a given AB molecule in various electronic
states are refined. It is shown that the Badjer parameters for a pair of atoms A and B determine all important
molecular constants of the AB chemical bond in a wide range of equilibrium internuclear distance variations
in excited electronic states. The number of points that fall outside, that is, the number of states that do not obey
the formulated rules, is small, and in many instances, their existence is explained by either large uncertainties
involved in the molecular constants themselves or changes in molecular constant caused by strong interaction
of two (or several) excited states.

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