Show simple item record

dc.creatorPalalikit, Suraten_US
dc.creatorShavitt, Isaiahen_US
dc.date.accessioned2006-06-15T13:51:54Z
dc.date.available2006-06-15T13:51:54Z
dc.date.issued1976en_US
dc.identifier1976-WB-2en_US
dc.identifier.urihttp://hdl.handle.net/1811/9927
dc.descriptionAuthor Institution: Department of Chemistry, The Ohio State Universityen_US
dc.description.abstractThe 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.extent101909 bytes
dc.format.mimetypeimage/jpeg
dc.language.isoEnglishen_US
dc.publisherOhio State Universityen_US
dc.titleAVERAGE AND DIRECTIONAL COMPTON PROFILES OF $H_{2}O$ FROM SCF AND CI WAVEFUNCTIONS.en_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