dc.creator Harris, Frank E. en_US dc.date.accessioned 2006-06-15T12:51:20Z dc.date.available 2006-06-15T12:51:20Z dc.date.issued 1957 en_US dc.identifier 1957-L-8 en_US dc.identifier.uri http://hdl.handle.net/1811/7676 dc.description Author Institution: Department of Chemistry, University of California en_US dc.description.abstract “An IBM Type 701 data processing machine has been programmed to compute matrix elements of the Hamiltonian of an arbitrary many-electron diatomic molecule, in terms of a basis consisting of products of one-electron spheroidal wave functions. The program uses the auxiliary functions denoted by Kotani $A_{n}(\alpha)$, $B_{o}(\alpha)$, $G^{v}_{\tau}$ (m, $\alpha$), and $W^{b}_{\tau}$ (m, n; $\alpha, \beta$), and tables of these functions for wide ranges of all the variables were obtained as a by-product of the present investigation. We are beginning to test various methods of introducing configuration interaction among these product wave functions to improve energy level calculation in small molecules such as $H_{2}$, LiH, and $Li_{2}$. A report on our progress in this direction will be given.” en_US dc.format.extent 75571 bytes dc.format.mimetype image/jpeg dc.language.iso English en_US dc.publisher Ohio State University en_US dc.title ENERGY LEVEL CALCULATIONS FOR SMALL DIATOMIC MOLECULES en_US dc.type article en_US
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