Show simple item record

dc.creatorDas, G.en_US
dc.creatorBertoncini, Peter J.en_US
dc.creatorStevens, W. J.en_US
dc.creatorWahl, Arnold C.en_US
dc.creatorKrauss, M.en_US
dc.creatorBillingsley, Frank P.en_US
dc.date.accessioned2006-06-15T13:35:18Z
dc.date.available2006-06-15T13:35:18Z
dc.date.issued1972en_US
dc.identifier1972-Y-6en_US
dc.identifier.urihttp://hdl.handle.net/1811/9192
dc.descriptionAuthor Institution: Argonne National Laboratory Argonne; National Bureau of Standardsen_US
dc.description.abstractThe method of Optimized Valence Configurations (OVC) which utilizes the MCSCF technique to evaluate primarily molecular correlation effects has been applied to a variety of diatomic systems and a consistent accuracy of better than 0.1 ev. in dissociation energies and potential curve ``shapes’’ obtained. Such results for the systems OH, HF, $O^{2}_-$, CN and $Na_{2}$ will be summarized and the rules for the general application of the method will be presented. The MCSCF technique has also been applied to the calculation of accurate static diople polarizabilities for atoms. Results for the first row atoms will be presented.en_US
dc.format.extent105837 bytes
dc.format.mimetypeimage/jpeg
dc.language.isoEnglishen_US
dc.publisherOhio State Universityen_US
dc.titleMULTICONFIGURATION SELF-CONSISTENT-FIELD CALCULATIONS OF DIATOMIC POTENTIAL CURVES AND ATOMIC POLARIZABILITIESen_US
dc.typearticleen_US


Files in this item

Thumbnail

Items in Knowledge Bank are protected by copyright, with all rights reserved, unless otherwise indicated.

This item appears in the following Collection(s)

Show simple item record