0713210.1351/goldbook.ZT07132ZT07132
currentIUPAC Gold Book  zero differential overlap (ZDO) approximationzero differential overlap approximation
ZDO
2.3.320140224

1
An approach to the systematic neglect of the smallinvalue electron repulsion integrals which is used in a number of approximate selfconsistent field molecular orbital schemes. It means that all the products of atomic orbitals are set to zero and the overlap integral (where is the Kronecker delta). The ZDO approximation greatly simplifies the computation of wavefunctions by eliminating many of twoelectron integrals. At the ZDO approximation all three and fourcentered integrals vanish.
An approach to the systematic neglect of the smallinvalue electron repulsion integrals which is used in a number of approximate selfconsistent field molecular orbital schemes. It means that all the products of atomic orbitals [math: χ µ χ ν] are set to zero and the overlap integral[math: S µ ν = δ µ ν] (where [math: δ µ ν] is the Kronecker delta). The ZDO approximation greatly simplifies the computation of wavefunctions by eliminating many of twoelectron integrals. At the ZDO approximation all three and fourcentered integrals vanish.

goldify
http://dev.goldbook.iupac.org/terms/view/M03996

goldify
http://dev.goldbook.iupac.org/terms/view/O04357
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PAC, 1999, 71, 1919. 'Glossary of terms used in theoretical organic chemistry' on page 1970 (https://doi.org/10.1351/pac199971101919)
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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 online corrected version: http://goldbook.iupac.org (2006) created by M. Nic, J. Jirat, B. Kosata; updates compiled by A. Jenkins. ISBN 0967855098. https://doi.org/10.1351/goldbook.
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