Note on the generation of Gaussian bases for pseudopotential calculations

dc.creatorBettega, MHF
dc.creatorNatalense, APP
dc.creatorLima, MAP
dc.creatorFerreira, LG
dc.date1996
dc.date42309
dc.date2014-12-16T11:37:25Z
dc.date2015-11-26T16:26:20Z
dc.date2014-12-16T11:37:25Z
dc.date2015-11-26T16:26:20Z
dc.date.accessioned2018-03-28T23:07:07Z
dc.date.available2018-03-28T23:07:07Z
dc.identifierInternational Journal Of Quantum Chemistry. John Wiley & Sons Inc, v. 60, n. 4, n. 821, n. 824, 1996.
dc.identifier0020-7608
dc.identifierWOS:A1996VM44200004
dc.identifier10.1002/(SICI)1097-461X(1996)60:4<821
dc.identifierhttp://www.repositorio.unicamp.br/jspui/handle/REPOSIP/62125
dc.identifierhttp://www.repositorio.unicamp.br/handle/REPOSIP/62125
dc.identifierhttp://repositorio.unicamp.br/jspui/handle/REPOSIP/62125
dc.identifier.urihttp://repositorioslatinoamericanos.uchile.cl/handle/2250/1268858
dc.descriptionWe present a technique to generate Cartesian Gaussian bases for electronic configuration and cross-section calculations on molecules. The technique is specially useful for pseudopotential work, when the bases cannot be tabulated because they depend on the specific choice of the pseudopotential. (C) 1996 John Wiley & Sons, Inc.
dc.description60
dc.description4
dc.description821
dc.description824
dc.languageen
dc.publisherJohn Wiley & Sons Inc
dc.publisherNew York
dc.relationInternational Journal Of Quantum Chemistry
dc.relationInt. J. Quantum Chem.
dc.rightsfechado
dc.rightshttp://olabout.wiley.com/WileyCDA/Section/id-406071.html
dc.sourceWeb of Science
dc.subjectEffective Core Potentials
dc.subjectMetal Atoms Sc
dc.subjectNorm-conserving Pseudopotentials
dc.subjectMolecular Calculations
dc.subjectBasis-sets
dc.subjectRow Atoms
dc.subjectModel Potentials
dc.subjectMp Set
dc.subjectHg
dc.subjectState
dc.titleNote on the generation of Gaussian bases for pseudopotential calculations
dc.typeArtículos de revistas


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