• Login
    View Item 
    •   Athenaeum Home
    • University of Georgia Theses and Dissertations
    • University of Georgia Theses and Dissertations
    • View Item
    •   Athenaeum Home
    • University of Georgia Theses and Dissertations
    • University of Georgia Theses and Dissertations
    • View Item
    JavaScript is disabled for your browser. Some features of this site may not work without it.

    Focal point extrapolation procedures

    Thumbnail
    Date
    2008-08
    Author
    Stibrich, Nathan Joseph
    Metadata
    Show full item record
    Abstract
    The high level of accuracy obtained with present computational chemistry methods is rapidly increasing with faster computing, more efficient codes, and higher levels of theory becoming available for general use. Chemical accuracy is within the field’s grasp for most small molecules. However, some investigations warrant even higher accuracy that that. In this work, the recently implemented coupled cluster with singles, doubles, triples, and perturbative quadruples [CCSDT(Q)] level of theory is exploited under the focal point scheme to attain very accurate properties for the HCCO radical and implications for its further utility are discussed.
    URI
    http://purl.galileo.usg.edu/uga_etd/stibrich_nathan_j_200808_ms
    http://hdl.handle.net/10724/25060
    Collections
    • University of Georgia Theses and Dissertations

    About Athenaeum | Contact Us | Send Feedback
     

     

    Browse

    All of AthenaeumCommunities & CollectionsBy Issue DateAuthorsTitlesSubjectsThis CollectionBy Issue DateAuthorsTitlesSubjects

    My Account

    LoginRegister

    About Athenaeum | Contact Us | Send Feedback