Many-Parameter Alternant Molecular Orbital Calculations for Large Cyclic Systems with Closed-Shell Structure

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Abstract
Computer calculations of the energies for various ring systems with closed‐shell structure have been carried out within the framework of the many‐parameter alternant molecular orbital method. A significant improvement is obtained over the corresponding single‐parameter results. Since the explicit energy minimizations are rather time consuming, some semiempirical relations between the relevant parameters are also discussed.