Abstract

Potential curves and spectroscopic constants for the ground and low-lying excited electronic states of OH and OH − are computed at the MCSCF level, in vacuo and in fcc point-charge lattices. Vibrationally bound 1Π and 3Π states are found 3-4 eV above the ground state of the anion and are probably responsible for the known UV luminescence spectrum of OH − in alkali halides. The excited states display OH − character, and their properties depend strongly on orientation in the lattice.

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