AB INITIO STUDIES ON THE GROUND AND EXCITED STATES OF OZONIDE ION
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Date
1976
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Publisher
Ohio State University
Abstract
Ab initio SCF and MCSCF/CI calculations were performed on the ground and low-lying excited states of the ozonide ion, using a contracted Gaussian type orbital basis set of polarized double-zeta quality augmented by diffuse functions. The vertical excitation energies and electron affinity are compared to previous experimental and theoretical results, where available.
Description
The author is on leave from Eotvos L. University, Budapest, Hungary.
Author Institution: Chemistry Division, Argonne National Laboratory
Author Institution: Chemistry Division, Argonne National Laboratory