Exact Gaussian expansions of Slater-type atomic orbitals

dc.creatorGomes, ASP
dc.creatorCustodio, R
dc.date2002
dc.date11140
dc.date2014-11-18T16:42:27Z
dc.date2015-11-26T16:57:20Z
dc.date2014-11-18T16:42:27Z
dc.date2015-11-26T16:57:20Z
dc.date.accessioned2018-03-28T23:44:52Z
dc.date.available2018-03-28T23:44:52Z
dc.identifierJournal Of Computational Chemistry. John Wiley & Sons Inc, v. 23, n. 10, n. 1007, n. 1012, 2002.
dc.identifier0192-8651
dc.identifierWOS:000176386200007
dc.identifier10.1002/jcc.10090
dc.identifierhttp://www.repositorio.unicamp.br/jspui/handle/REPOSIP/66202
dc.identifierhttp://www.repositorio.unicamp.br/handle/REPOSIP/66202
dc.identifierhttp://repositorio.unicamp.br/jspui/handle/REPOSIP/66202
dc.identifier.urihttp://repositorioslatinoamericanos.uchile.cl/handle/2250/1277631
dc.descriptionThree exact Slater-type function (STO) integral transforms are presented. The STO-NG basis set can then be developed using either only Is Gaussian functions, the same Gaussian exponents for each shell, or using the first Gaussian of each symmetry. The use of any of these three alternatives depends only on appropriate numerical integration techniques. (C) 2002 Wiley Periodicals, Inc.
dc.description23
dc.description10
dc.description1007
dc.description1012
dc.languageen
dc.publisherJohn Wiley & Sons Inc
dc.publisherHoboken
dc.publisherEUA
dc.relationJournal Of Computational Chemistry
dc.relationJ. Comput. Chem.
dc.rightsfechado
dc.rightshttp://olabout.wiley.com/WileyCDA/Section/id-406071.html
dc.sourceWeb of Science
dc.subjectSlater-type orbital
dc.subjectintegral transform
dc.subjectGaussian expansion
dc.subjectnumerical integration
dc.subjectSTO-NG
dc.subjectMain-group Elements
dc.subjectNg Basis-sets
dc.subjectOrganometallic Compounds
dc.subjectMolecular Integrals
dc.subjectSto Basis
dc.subject2-center
dc.titleExact Gaussian expansions of Slater-type atomic orbitals
dc.typeArtículos de revistas


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