Studies on the Alternant Molecular Orbital Method. III. A Many-Parameter Energy Expression for Systems with Closed-Shell Structure

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Abstract
A refined alternant molecular orbital (AMO) method is described in which we allow for different variable parameters for each MO pair which is coupled. A corresponding many‐parameter energy expression for the ground state of an arbitrary system with closed‐shell structure is derived. Results of a numerical analysis involving the pi‐electron sextet in benzene are briefly reviewed. Possible future applications of this scheme are suggested.