KUKU

KU ScholarWorks

  • myKU
  • Email
  • Enroll & Pay
  • KU Directory
    • Login
    View Item 
    •   KU ScholarWorks
    • Chemistry
    • Chemistry Scholarly Works
    • View Item
    •   KU ScholarWorks
    • Chemistry
    • Chemistry Scholarly Works
    • View Item
    JavaScript is disabled for your browser. Some features of this site may not work without it.

    Studies of multichannel rotational predissociation of Ar–H2 van der Waals molecule by the complexcoordinate coupledchannel formalism

    Thumbnail
    View/Open
    Chu_Studies_of_Multichannel_Rotational_Predissociation.pdf (977.7Kb)
    Issue Date
    1982-01-01
    Author
    Chu, Shih-I
    Datta, Krishna K.
    Publisher
    Elsevier
    Type
    Article
    Article Version
    Scholarly/refereed, publisher version
    Metadata
    Show full item record
    Abstract
    The complex‐coordinate coupled‐channel (CCCC) formalism previously developed [J. Chem. Phys. 72, 4772 (1980)] is applied to the accurate determination of the level widths (lifetimes) and energies of rotationally predissociating metastable Ar⋅⋅⋅H2 van der Waals molecules. Calculations are performed using several realistic anisotropic potentials obtained recently by experiments, including Lennard‐Jones (LJ), Buckingham–Corner (BC) type potentials, as well as the semiempirical potential of Tang–Toennies (TT). New numerical methods are introduced here to deal with the complex rotations of piecewise inhomogeneous potentials such as those of BC and TT. It is found that the CCCC method is capable of providing reliable results for any given potential surface. Furthermore, the CCCC results are sensitive to the potential surfaces used. For example, the linewidths predicted for different LJ potential surfaces considered here vary by a factor as large as 4. However, the agreement among more recent potentials, namely, the BC potential of Zandee and Reuss and that of Le Roy and Carley as well as the potential of Tang and Toennies, is much closer: the resonance energies agree to within 1 cm−1 and the linewidths to within 30%.
    Description
    This is the published version, also available here: http://dx.doi.org/10.1063/1.442929.
    URI
    http://hdl.handle.net/1808/15868
    DOI
    https://doi.org/10.1063/1.442929
    Collections
    • Chemistry Scholarly Works [610]
    Citation
    Chu, Shih-I. & Datta, Krishna K. "Studies of multichannel rotational predissociation of Ar–H2 van der Waals molecule by the complex‐coordinate coupled‐channel formalism." e Journal of Chemical Physics 76, 5307 (1982); http://dx.doi.org/10.1063/1.442929.

    Items in KU ScholarWorks are protected by copyright, with all rights reserved, unless otherwise indicated.


    We want to hear from you! Please share your stories about how Open Access to this item benefits YOU.


    Contact KU ScholarWorks
    785-864-8983
    KU Libraries
    1425 Jayhawk Blvd
    Lawrence, KS 66045
    785-864-8983

    KU Libraries
    1425 Jayhawk Blvd
    Lawrence, KS 66045
    Image Credits
     

     

    Browse

    All of KU ScholarWorksCommunities & CollectionsThis Collection

    My Account

    LoginRegister

    Statistics

    View Usage Statistics

    Contact KU ScholarWorks
    785-864-8983
    KU Libraries
    1425 Jayhawk Blvd
    Lawrence, KS 66045
    785-864-8983

    KU Libraries
    1425 Jayhawk Blvd
    Lawrence, KS 66045
    Image Credits
     

     

    The University of Kansas
      Contact KU ScholarWorks
    Lawrence, KS | Maps
     
    • Academics
    • Admission
    • Alumni
    • Athletics
    • Campuses
    • Giving
    • Jobs

    The University of Kansas prohibits discrimination on the basis of race, color, ethnicity, religion, sex, national origin, age, ancestry, disability, status as a veteran, sexual orientation, marital status, parental status, gender identity, gender expression and genetic information in the University’s programs and activities. The following person has been designated to handle inquiries regarding the non-discrimination policies: Director of the Office of Institutional Opportunity and Access, IOA@ku.edu, 1246 W. Campus Road, Room 153A, Lawrence, KS, 66045, (785)864-6414, 711 TTY.

     Contact KU
    Lawrence, KS | Maps