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Ab initio model potential calculations on the electronic spectrum of Ni2+ -doped MgO including correlation, spin–orbit and embedding effects

dc.contributor.authorLlusar, Rosa
dc.contributor.authorCasarrubios, Marcos
dc.contributor.authorBarandiarán Piedra, Zoila 
dc.contributor.authorSeijo Loché, Luis Ignacio 
dc.date.accessioned2014-02-17T17:29:57Z
dc.date.available2011-10-27
dc.date.issued1996
dc.identifier.citationJournal of Chemical Physics 105.13 (1996): 5321-5330
dc.identifier.issn0021-9606
dc.identifier.urihttp://hdl.handle.net/10486/7225
dc.format.mimetypeApplication/pdf
dc.language.isoeng
dc.publisherAmerican Institute of Physics
dc.rightsCopyright (1996) American Institute of Physics. This article may be downloaded for personal use only. Any other use requires prior permission of the author and the American Institute of Physics. The following article prepared in (Llusar, R. Casarrubios, M.; Barandiarán, Z. and L. Seijo. "Ab initio model potential calculations on the electronic spectrum of Ni2+ -doped MgO including correlation, spin–orbit and embedding effects." Journal of Chemical Physics 105.13 (1996): 5321-5330) and may be found at http://jcp.aip.org/resource/1/jcpsa6/v105/i13/p5321_s1
dc.subjectQuímica cuántica
dc.subjectEspectroscopía
dc.titleAb initio model potential calculations on the electronic spectrum of Ni2+ -doped MgO including correlation, spin–orbit and embedding effects
dc.typearticle
dc.type.reviewPeer reviewed
dc.relation.publisherversionhttp://dx.doi.org/10.1063/1.472376
dc.identifier.doi10.1063/1.472376
dc.rights.accessRightsopenAccessen
dc.authorUAMBarandiarán Piedra, Zoila (269553)
dc.authorUAMSeijo Loche, Luis Ignacio (261529)
dc.facultadUAMFacultad de Ciencias


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