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  • 2000-2004  (3)
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  • 1
    Electronic Resource
    Electronic Resource
    College Park, Md. : American Institute of Physics (AIP)
    The Journal of Chemical Physics 115 (2001), S. 1335-1339 
    ISSN: 1089-7690
    Source: AIP Digital Archive
    Topics: Physics , Chemistry and Pharmacology
    Notes: We present results of quantum mechanical scattering calculations on the vibrational relaxation of CO induced by collisions with 3He at ultracold temperatures and compare them with the corresponding results for the 4He–CO system. The low energy cross sections are controlled by shape resonances supported by the van der Waals well. For a thermal rotational population the cross sections for the quenching of the v=1 vibrational level are larger for 3He than for 4He collisions. Because of the absence of a Feshbach resonance, the cross sections at low energies for the quenching of the j=1 rotational level are much smaller than those for 4He–CO. Very good agreement is found for the rate coefficients for the vibrational relaxation of the v=1 level with the measurement data that are available at temperatures above 35 K. There are small discrepancies between the calculated rate coefficients with earlier calculations for the relaxation of the v=1 vibrational level, similar to those found for 4He–CO collisions, but the discrepancies tend to be larger with decrease of temperature. © 2001 American Institute of Physics.
    Type of Medium: Electronic Resource
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  • 2
    Electronic Resource
    Electronic Resource
    College Park, Md. : American Institute of Physics (AIP)
    The Journal of Chemical Physics 113 (2000), S. 621-627 
    ISSN: 1089-7690
    Source: AIP Digital Archive
    Topics: Physics , Chemistry and Pharmacology
    Notes: Quantum mechanical coupled channel scattering calculations are performed for the ro-vibrational relaxation of CO in collisions with ultracold He atoms. The van der Waals well in the interaction potential supports a number of shape resonances which significantly influence the relaxation cross sections at energies less than the well depth. Feshbach resonances are also found to occur near channel thresholds corresponding to the j=1 rotational level in the v=0 and v=1 vibrational levels. Their existence influences dramatically the limiting values of the elastic scattering cross sections and the rotational quenching rate coefficients from the j=1 level. We present complex scattering lengths for several low lying rotational levels of CO which characterize both elastic and inelastic collisions in the limit of zero temperature. Our results for the vibrational relaxation of CO (v=1) are in good agreement with available experimental and theoretical results. © 2000 American Institute of Physics.
    Type of Medium: Electronic Resource
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  • 3
    Electronic Resource
    Electronic Resource
    College Park, Md. : American Institute of Physics (AIP)
    The Journal of Chemical Physics 112 (2000), S. 1255-1259 
    ISSN: 1089-7690
    Source: AIP Digital Archive
    Topics: Physics , Chemistry and Pharmacology
    Notes: We present a time-dependent quantum mechanical investigation of predissociation of molecular oxygen following absorption in the Schumann–Runge continuum. We calculate the total and partial photoabsorption cross sections in a wave packet formalism in which the predissociation of the B 3Σu− molecular state is attributed to spin-orbit interactions with the 1Πu, a 3Πu, 5Πu, and 2 3Σu+ repulsive states. We calculate the branching ratio, describing the relative rates of production of excited (1D) and ground-state (3P) oxygen atoms, and find close agreement with a recent measurement. © 2000 American Institute of Physics.
    Type of Medium: Electronic Resource
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