INDO MO calculations for first row transition metal complexes

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Abstract
A general molecular orbital method using a modified INDO scheme is given for systems involving first row elements and first row transitional elements. The new hamiltonian matrix elements and the appropriate parameterizations are given together with results for a number of test cases. The splitting of the different spin terms arising from a given orbital configuration is satisfactorily accounted for and the energy differences involved agree well with spectroscopic data.