Počet záznamů: 1  

Bound and Low-Lying Quasi-Bound Rotation-Vibration Energy Levels of the Ground and First Excited Electronic States of HeH2+

  1. 1.
    0181454 - UFCH-W 20020122 RIV NL eng J - Článek v odborném periodiku
    Kraemer, W. P. - Špirko, Vladimír - Bludský, Ota
    Bound and Low-Lying Quasi-Bound Rotation-Vibration Energy Levels of the Ground and First Excited Electronic States of HeH2+.
    Chemical Physics. Roč. 276, - (2002), s. 225-242. ISSN 0301-0104. E-ISSN 1873-4421
    Grant CEP: GA MŠMT LN00A032
    Výzkumný záměr: CEZ:AV0Z4040901
    Klíčová slova: energy surfaces * rotation-vibration * energy levels
    Kód oboru RIV: CF - Fyzikální chemie a teoretická chemie
    Impakt faktor: 2.203, rok: 2002

    Adiabatic potential energy surfaces are calculated for the ground and first excited electronic states of HeH2+ including their respective lowest dissociation limits: HeH2+((X) over tilde (2)A'') --> He(S-1) + H-2(+)((X) over tilde (2)Sigma(g)(+)) and HeH2+((A) over tilde (2)A) --> He+(S-2) + H-2((A) over tilde (1)Sigma(g)(+)). Using the Sutcliffe-Tennyson Hamiltonian for triatomic molecules, the energies of the rotation-vibration bound states are determined variationally and the energy positions and widths of low-lying quasi-bound resonance states are obtained applying the stabilization method. For the excited electronic state a number of resonances are predicted which have considerably long lifetimes and can therefore be expected to be important for a detailed description of the chemical reactivity of the HeH2+ ion. The positions of these resonance states are shown to coincide closely with the eigenvalues of an approximate Hamiltonian derived.
    Trvalý link: http://hdl.handle.net/11104/0078019

     
     

Počet záznamů: 1  

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