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Chemistry · Glossary

What is Hückel method?

Definition 16.1 University Chemistry — Year 2 · Chapter 16 — Hückel Theory and Conjugated Systems

The Hückel method computes the π\pi orbitals of a planar conjugated system as combinations ψ=∑rcrpr\psi = \sum_r c_r p_r of one p orbital per atom, with the approximations: overlaps Srs=0S_{rs} = 0 for r≠sr \neq s (and 1 for r=sr = s); Coulomb integrals all equal to α\alpha; resonance integrals equal to β<0\beta < 0 between bonded neighbours and zero otherwise.

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