CALCULATIONS ON THE PERMANGANATE ION IN THE GROUND AND EXCITED STATES

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1974

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Ohio State University

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Abstract

An ab initio calculation has been carried out on the permanganate ion using a large Gaussian basis set. The ground state description as well as a number of excited states have been calculated and compared with values available in the literature. Values of triplets are reported and a heretofore unreported extremely low triplet is discussed.

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Author Institution: Department of Chemistry, The Ohio State University

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