The Hückel method, also known as Hückel molecular orbital (HMO) theory, is a semi-empirical quantum chemical approach used to determine the electronic structure of conjugated organic molecules, particularly those with planar cyclic systems, like benzene and other aromatic compounds. Developed by Erich Hückel in the 1930s, this method is particularly useful for understanding the behavior of π electrons in these systems.
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A model of conjugated molecular orbitals with an orthonormal atomic basis, one-centre energies , and resonance matrix elements between selected neighbouring sites. Solving gives orbital energies and coefficients. Its simplicity makes symmetry and electron filling explicit, but quantitative charge predictions can depend strongly on the chosen parameters and omitted orbital relaxation.