Methods which use parameters derived from experimental data to simplify computations.
The simplification may occur at various levels: simplification of the Hamiltonian
, as in the Extended Huckel method
), approximate evaluation of certain molecular integrals (see, for example, Zero differential overlap approximation
), simplification of the wavefunction (for example, use of a Pi (π) electron approximation
as in Pariser–Parr–Pople
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