An Ab Initio study of the permanganate ion

Albert P. Mortola, Harold Basch, Jules W. Moskowitz

Research output: Contribution to journalArticlepeer-review

19 Scopus citations


An ab initio self‐consistent computation has been performed on the permanganate ion (MnO 4−) in a large basis set of contracted gaussian functions. The ground state description as well as those of the first two excited states are discussed and compared with those obtained experimentally from photoelectron spectroscopy, ESCA, optical spectroscopy and magnetic circular dichroism.

Original languageEnglish
Pages (from-to)725-737
Number of pages13
JournalInternational Journal of Quantum Chemistry
Issue number4
StatePublished - Jul 1973


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