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semi-empirical quantum mechanical methods

Methods which use parameters derived from experimental data to simplify computations. The simplification may occur at various levels: simplification of the Hamiltonian (e.g., 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 method), etc.
Source:
PAC, 1999, 71, 1919 (Glossary of terms used in theoretical organic chemistry) on page 1962
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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. doi:10.1351/goldbook.
Last update: 2014-02-24; version: 2.3.3.
DOI of this term: doi:10.1351/goldbook.ST07099.
Original PDF version: http://www.iupac.org/goldbook/ST07099.pdf. The PDF version is out of date and is provided for reference purposes only. For some entries, the PDF version may be unavailable.
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