{"term":{"metadata":{"id":"07132","doi":"10.1351\/goldbook.ZT07132","code":"ZT07132","status":"current","longtitle":"IUPAC Gold Book - zero differential overlap (ZDO) approximation","title":"zero differential overlap approximation","contexts":[],"abbrevs":["ZDO"],"index":null,"version":"2.3.3","lastupdated":"2014-02-24"},"definitions":{"definition":[{"id":"1","html":"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<\/a> schemes. It means that all the products of atomic orbitals <\/span> are set to zero and the overlap integral<\/a><\/span> (where <\/span> 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.","text":"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: 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 two-electron integrals. At the ZDO approximation all three- and four-centered integrals vanish.","contexts":{"in":[],"of":[]},"chemicals":[],"links":[{"type":"goldify","url":"http:\/\/dev.goldbook.iupac.org\/terms\/view\/M03996"},{"type":"goldify","url":"http:\/\/dev.goldbook.iupac.org\/terms\/view\/O04357"}],"math":[{"meaning":null,"type":null,"latex":"\\unicode[Times]{x3C7} _{\\unicode[Times]{x3BC} }\\ \\unicode[Times]{x3C7} _{\\unicode[Times]{x3BD} }"},{"meaning":null,"type":null,"latex":"\\text{S}_{\\unicode[Times]{x3BC} \\unicode[Times]{x3BD} } = \\unicode[Times]{x3B4} _{\\unicode[Times]{x3BC} \\unicode[Times]{x3BD} }"},{"meaning":null,"type":null,"latex":"\\unicode[Times]{x3B4}_{\\unicode[Times]{x3BC}\\unicode[Times]{x3BD} }"}],"sources":["PAC, 1999, 71, 1919. 'Glossary of terms used in theoretical organic chemistry' on page 1970 (https:\/\/doi.org\/10.1351\/pac199971101919)"]}]},"links":{"html":"http:\/\/dev.goldbook.iupac.org\/terms\/view\/ZT07132\/html","json":"http:\/\/dev.goldbook.iupac.org\/terms\/view\/ZT07132\/json","xml":"http:\/\/dev.goldbook.iupac.org\/terms\/view\/ZT07132\/xml","plain":"http:\/\/dev.goldbook.iupac.org\/terms\/view\/ZT07132\/plain","pdf":"http:\/\/dev.goldbook.iupac.org\/terms\/view\/ZT07132\/pdf","originalpdf":"http:\/\/iupac.org\/goldbook\/ZT07132.pdf"},"citeas":"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.","license":"Licensed under Creative Commons Attribution-NoDerivatives (CC-BY-ND) 4.0 International (https:\/\/creativecommons.org\/licenses\/by-nd\/4.0\/)","disclaimer":"The International Union of Pure and Applied Chemistry (IUPAC) is continuously reviewing and, where needed, updating terms in the Compendium of Chemical Terminology (the IUPAC Gold Book). Users of these terms are encouraged to include the version of a term with its use and to check regularly for updates to term definitions that you are using.","accessed":"2019-02-22T18:27:10-06:00"}}