THEORETICAL STUDIES OF ATMOSPHERIC TRIATOMIC MOLECULES: VERTICAL SPECTRA FOR $CO_{2}$
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Date
1977
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Publisher
Ohio State University
Abstract
Vertical spectra for carbon dioxide which were determined with SCF, MCSCF/CI, \ and equations-of-motion methods will be presented and compared with each other and with experiment. The character of the electronic states will also be given. It will be shown that the low-lying Rydberg states can be understood very simply.
Description
This work was supported by the U.S. Air Force Office of Scientific Research and the U.S. Energy Research and Development Administration.
Author Institution: Chemistry Division, Argonne National Laboratory; Department of Chemistry, University of California