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zero differential overlap (ZDO) approximation
An approach to the systematic neglect of the small-in-value electron repulsion integrals which is used in a number of approximate self-consistent field molecular orbital schemes. It means that all the products of atomic orbitals Math - ei are set to zero and the overlap integral Math - ei (where Math - ei is the Kronecker delta). The ZDO approximation greatly simplifies the computation of wavefunctions by eliminating many of two-electron integrals. At the ZDO approximation all three- and four-centered integrals vanish.
Source:
PAC, 1999, 71, 1919 (Glossary of terms used in theoretical organic chemistry) on page 1970
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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. doi:10.1351/goldbook.
Last update: 2008-10-07; version: 2.0.2.
DOI of this term: doi:10.1351/goldbook.ZT07132.
Original PDF version (may be out of date): http://www.iupac.org/goldbook/ZT07132.pdf.
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