# EQUATIONS-OF-MOTION CALCULATIONS OF ELECTRONIC EXCITATIONS IN SMALL MOLECULES

Please use this identifier to cite or link to this item: http://hdl.handle.net/1811/10091

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 Title: EQUATIONS-OF-MOTION CALCULATIONS OF ELECTRONIC EXCITATIONS IN SMALL MOLECULES Creators: Adams, George F.; Daum, Gaelen Issue Date: 1977 Publisher: Ohio State University Abstract: We report electronic excitation energies for several small molecular species calculated with the equations-of-motion perturbation theory method. The excitation energies are in good agreement with available spectroscopic data. We shall discuss electronic transitions in $H_{2}$, BH, and formaldehyde. Basis set requirements will be discussed. Description: Author Institution: U.S. Army Ballistic Research Laboratory, Aberdeen Proving Ground URI: http://hdl.handle.net/1811/10091 Other Identifiers: 1977-RB-4