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dc.creatorDas, G.en_US
dc.creatorWahl, Arnold C.en_US
dc.creatorBenioff, P.en_US
dc.date.accessioned2006-06-15T13:49:18Z
dc.date.available2006-06-15T13:49:18Z
dc.date.issued1976en_US
dc.identifier1976-TB-13en_US
dc.identifier.urihttp://hdl.handle.net/1811/9818
dc.description$^{1}$ V. V. Walatka, Jr, M. M. Labes, and Jerome H. Perlstein, Phys. Rev. Lett. 31 1139 (1973).en_US
dc.description$^{2}$ Physics Today, June 1975, p. 17.en_US
dc.descriptionAuthor Institution: Chemistry Division, Argonne National Laboratoryen_US
dc.description.abstractAn MCSCF method is described in which groups of configurations with frozen ""internal"" mixing coefficients are linearly combined and optimized. Such a formalism is found to reduce the computational efforts drastically while retaining chemical accuracy. The method is illustrated for the reaction $N + O_{2} \rightarrow NO + O$.en_US
dc.format.extent65987 bytes
dc.format.mimetypeimage/jpeg
dc.language.isoEnglishen_US
dc.publisherOhio State Universityen_US
dc.titleA NOVEL MCSCF METHOD USING CONFIGURATION-GROUPS: APPLICATION TO THE SCATTERING PROBLEM: $N + O_{2} \rightarrow NO + O$en_US
dc.typearticleen_US


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