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  • Digitale Medien  (2)
  • 1990-1994  (2)
  • 1992  (2)
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  • Digitale Medien  (2)
Erscheinungszeitraum
  • 1990-1994  (2)
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  • 1
    Digitale Medien
    Digitale Medien
    Theoretical study of the electronic structure of Ar++2 (1992)
    College Park, Md. : American Institute of Physics (AIP)
    The Journal of Chemical Physics 96 (1992), S. 6085-6092 
    Details
    ISSN: 1089-7690
    Quelle: AIP Digital Archive
    Thema: Physik , Chemie und Pharmazie
    Notizen: The electronic states of the ionic excimer Ar++2 are calculated using ab initio multireference configuration interaction and effective core pseudopotentials. Among states dissociating into Ar+(2P)+Ar+(2P), all are found to be repulsive, except the ground state, which occurs to be quasibound near Re=4.1a0 with a well depth of ≥230 cm−1. All states originating from Ar++(3P,1D,1S)+Ar are bound with dissociation energies in the range 3200–4500 cm−1 and equilibrium distances between 5.6a0 and 6a0. Simulation emission spectra from bound excited states are derived from the calculated potentials and the possible contribution of the Ar++2 ion to the third continuum fluorescence is discussed.
    Materialart: Digitale Medien
    URL: http://dx.doi.org/10.1063/1.462650
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  • 2
    Digitale Medien
    Digitale Medien
    Theoretical study of the Rydberg excited electronic states of Ar+2 (1992)
    College Park, Md. : American Institute of Physics (AIP)
    The Journal of Chemical Physics 96 (1992), S. 6093-6103 
    Details
    ISSN: 1089-7690
    Quelle: AIP Digital Archive
    Thema: Physik , Chemie und Pharmazie
    Notizen: The first Rydberg states of the Ar+2 molecular ion dissociating into Ar+(3p5,2P) +Ar*(3p54s,3,1P) are calculated using multireference configuration interaction and effective core pseudopotentials. At long internuclear distance, their electronic structure is shown to be determined by resonance interaction and the magnitude of the Rydberg electron-transfer integral, inducing long-distance wells with De in the range 0.6–0.8 eV around Re(approximately-equal-to)9.0a0. In the short distance range, the electronic structure can be understood as resulting from an ionic Ar++ core with an outer Rydberg electron, and bound or quasibound Rydberg states are obtained around Re∼4a0. The fluorescence spectra of those states are simulated and the possible intervention of the Ar+2 system in the third continuum spectrum is considered.
    Materialart: Digitale Medien
    URL: http://dx.doi.org/10.1063/1.462651
    Bibliothek Standort Signatur Band/Heft/Jahr Verfügbarkeit
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    Artikel (Nationallizenzen)
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