The simplest
molecular orbital theory of π-conjugated molecular systems. It uses the following approximations: π-electron
approximation;
LCAO 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.
Source:
Cite as:
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.