Semi-empirical electronic state calculation

A method for electronic structure calculation that utilizes parameters obtained from simple approximations or experiments instead of rigorously calculating quantities such as overlap integrals between atomic orbitals. In the field of computational quantum chemistry, the Huckel method (which considers only π orbitals and calculates coulomb and resonance integrals between neighboring atomic orbitals while neglecting overlap integrals) and the extended Huckel method (which considers σ orbitals in addition) are often-used methods. In the field of condensed matter, tight-binding models are sometimes constructed to reproduce experiments.

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