dc.creator Palalikit, Surat en_US dc.creator Shavitt, Isaiah en_US dc.date.accessioned 2006-06-15T13:51:54Z dc.date.available 2006-06-15T13:51:54Z dc.date.issued 1976 en_US dc.identifier 1976-WB-2 en_US dc.identifier.uri http://hdl.handle.net/1811/9927 dc.description Author Institution: Department of Chemistry, The Ohio State University en_US dc.description.abstract The expressions necessary for calculating the spherically averaged and directional Compton profiles using Caussian and Slater basis sets have been derived and applied to calculations on the water molecule. The Spherically averaged profile and profiles along the principal axes and several other directions in the molecular plane have been calculated from high-quality wavefunctions at both the SCF and CI levels. Calculations were carried out at 36 points on the molecular potential surface and the results were vibrationally averaged. The anisotropy of the Compton profile, the electron correlation effects, and the vibrational corrections are described. en_US dc.format.extent 101909 bytes dc.format.mimetype image/jpeg dc.language.iso English en_US dc.publisher Ohio State University en_US dc.title AVERAGE AND DIRECTIONAL COMPTON PROFILES OF $H_{2}O$ FROM SCF AND CI WAVEFUNCTIONS. en_US dc.type article en_US
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