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  • 1
    Electronic Resource
    Electronic Resource
    College Park, Md. : American Institute of Physics (AIP)
    The Journal of Chemical Physics 93 (1990), S. 2375-2383 
    ISSN: 1089-7690
    Source: AIP Digital Archive
    Topics: Physics , Chemistry and Pharmacology
    Notes: A theoretical formulation is presented of the predissociation of vibrational levels of the C 3Πg Rydberg state of O2 in terms of an inhomogeneous driven equation which takes account of couplings between the Rydberg state and the lowest two 3Πg valence states and the coupling between the valence states. The branching ratios for decay to the end products O(3P)+O(1D) and O(3P)+O(3P) are obtained and it is found that by a suitable choice of potential energy curves and coupling interactions agreement can be obtained with the experimental data. Utility of the Landau–Zener model is investigated and it is shown to be highly successful in describing the decay paths of the low-lying vibrational levels but it fails for the high-lying levels because of the occurrence of quantal interference between the channels. It is demonstrated that because of flux conservation the total width of the Rydberg vibrational state is independent of the coupling between the valence states.
    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 93 (1990), S. 8840-8843 
    ISSN: 1089-7690
    Source: AIP Digital Archive
    Topics: Physics , Chemistry and Pharmacology
    Notes: An amplitude method is described for determining the partial and total widths and the energies of resonances in multichannel processes in which resonance states may decay into many channels. The method is tested by application to a model problem and by a study of the predissociation of the C 3Πg Rydberg state of O2.
    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 90 (1989), S. 7606-7607 
    ISSN: 1089-7690
    Source: AIP Digital Archive
    Topics: Physics , Chemistry and Pharmacology
    Notes: The rotational constants of the lowest vibrational levels of the d 1Πg state of O2 display an anomalous behavior which has been attributed to interactions between the Rydberg and valence 1Πg states. We confirm the suggestion by carrying out a theoretical analysis in which we solved numerically the pair of coupled equations that describe the interacting states.
    Type of Medium: Electronic Resource
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  • 4
    Electronic Resource
    Electronic Resource
    College Park, Md. : American Institute of Physics (AIP)
    The Journal of Chemical Physics 91 (1989), S. 2980-2982 
    ISSN: 1089-7690
    Source: AIP Digital Archive
    Topics: Physics , Chemistry and Pharmacology
    Notes: A procedure which offers computational advantages over the customary formalism is presented for calculating the shifts of the energy levels of discrete states embedded in a continuum. Numerical procedures are described and applied to the vibrational level shifts of the B 3Σ−u state of 16O2 interacting with the 5Πu continuum.
    Type of Medium: Electronic Resource
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  • 5
    Electronic Resource
    Electronic Resource
    College Park, Md. : American Institute of Physics (AIP)
    The Journal of Chemical Physics 93 (1990), S. 2370-2374 
    ISSN: 1089-7690
    Source: AIP Digital Archive
    Topics: Physics , Chemistry and Pharmacology
    Notes: Experimental data on the positions and widths of the vibrational energy levels of the C 3Πg Rydberg state of molecular oxygen are interpreted. The energy levels are described as resonances in the elastic scattering of oxygen atoms in the open 1 3Πg valence state caused by a coupling to the closed C 3Πg Rydberg state. The coupled scattering equations are set up with an empirical valence potential energy curve and Rydberg-valence interaction potential and it is shown that the energy level positions and widths can be reproduced by an interaction of 63 meV and a potential energy curve that crosses the Rydberg curve on the attractive part of its outer limb.
    Type of Medium: Electronic Resource
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  • 6
    Electronic Resource
    Electronic Resource
    College Park, Md. : American Institute of Physics (AIP)
    The Journal of Chemical Physics 86 (1987), S. 3845-3851 
    ISSN: 1089-7690
    Source: AIP Digital Archive
    Topics: Physics , Chemistry and Pharmacology
    Notes: A semiempirical valence bond method is used to obtain realistic potential curves for the three lowest 1∑+ curves of NaF, KF, LiCl, NaCl, KCl, Lil, and Nal. They are used together with a model functional form for the diabiatic coupling to compute quantal chemiionization and mutual neutralization cross sections. The accuracy of one-electron estimates of the interaction energies in the crossing regions is explored. The Landau–Zener method is found to be very reliable except for collisions involving iodine, for which modifications are necessary.
    Type of Medium: Electronic Resource
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  • 7
    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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  • 8
    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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  • 9
    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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  • 10
    Electronic Resource
    Electronic Resource
    Amsterdam : Elsevier
    Physics Letters A 35 (1971), S. 61-62 
    ISSN: 0375-9601
    Source: Elsevier Journal Backfiles on ScienceDirect 1907 - 2002
    Topics: Physics
    Type of Medium: Electronic Resource
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