Comparison between the point‐charge electrostatic model and the angular overlap model: The general case

The aim of this paper is to explore in detail the mathematical connection between the point-charge electrostatic model and the angular overlap model. More precisely, for any configuration nlx in any symmetry, the matrix elements, and therefore the energy levels, as given by the angular overlap model restricted to the antibonding effects λ (for any of the possible λ's), are deduced from an effective potential constructed according to the point-charge electrostatic model. This allows us to give a mathematical proof of the equivalence between the point-charge electrostatic model and the angular overlap model taking into account all the antibonding effects λ. Finally, the sum rules for the angular overlap model are examined in the light of the formulae connecting the two models considered. Numerical tables for obtaining the results as given by the angular overlap model restricted to any of the antibonding effects from those as given by the point-charge electrostatic model are listed for the configurations nlx with l = p, d, f and g.

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