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    Por favor, use este identificador para citar o enlazar este ítem:http://uvadoc.uva.es/handle/10324/21478

    Título
    The diatomic dication SiC2+ in the gas phase
    Autor
    Pis Diez, Reinaldo
    Alonso Martín, Julio AlfonsoAutoridad UVA Orcid
    Año del Documento
    2015
    Descripción
    Producción Científica
    Documento Fuente
    Chemical Physics, 2015, Vol. 455, p. 41 – 47
    Zusammenfassung
    The diatomic dication SiC2+ in the gas phase is studied using the state- averaged version of the CASSCF method and the state-specific MRMP per- turbation theory to recover dynamical correlation effects. Thirteen different electronic states of the dication were found and characterized, ten of them being metastable electronic states. The ground state is characterized by a 3_ electronic state. The leading configuration state functions are provided for each electronic state. For completeness, a similar study is presented both for SiC and for SiC+. The present results are in excellent agreement with results obtained by other authors. The adiabatic ionization energies of SiC+ to form SiC2+ are within a range from about 16 eV to about 19.5 eV. This finding indicates that a projectile, whose ionization energy lies within that range could be eventually used to produce the dication. Lifetimes and radiative transition dipole moments are also calculated and reported.
    Materias (normalizadas)
    Química Física y Teórica
    ISSN
    0301-0104
    Revisión por pares
    SI
    DOI
    10.1016/j.chemphys.2015.04.007
    Patrocinador
    Junta de Castilla y León (programa de apoyo a proyectos de investigación – Ref. VA050U14)
    Version del Editor
    http://www.sciencedirect.com
    Idioma
    eng
    URI
    http://uvadoc.uva.es/handle/10324/21478
    Derechos
    openAccess
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    • DEP33 - Artículos de revista [203]
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    Pis-Diez-CHEMPHYS.pdf
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