The simplest molecular orbital
theory of π-conjugated molecular systems. It uses the following approximations: π-electron
representation of the π-molecular orbitals; neglect of electron-electron and nuclear-nuclear
repulsions (in fact, the assumption that these cancel). The diagonal elements of the
effective Hamiltonian, coulombic integrals, and the off-diagonal elements, resonance
integrals, (accounted for only directly bonded atoms) are chosen as empirical parameters,
all overlap integrals being neglected.
IUPAC. Compendium of Chemical Terminology, 2nd ed. (the "Gold Book"). Compiled by
A. D. McNaught and A. Wilkinson. Blackwell Scientific Publications, Oxford (1997).
XML on-line corrected version: http://goldbook.iupac.org (2006-) created by M. Nic,
J. Jirat, B. Kosata; updates compiled by A. Jenkins. ISBN 0-9678550-9-8. https://doi.org/10.1351/goldbook