Theoretical basis and design of the PPP model Hamiltonian

The LCAO method is used for a discussion of the π electron approximation. The Huckel method is presented and rephrased on the basis of Lowdin orthogonalized orbitals. The background of the Pariser-Parr-Pople model Hamiltonian is illuminated and the method is derived from first principles. The parametrization is discussed and the scope reviewed.

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