ACCURATE SCF VERTICAL SPECTRUM FOR THE VALENCE AND DIFFUSE ELECTRONIC STATES OF LINEAR $CO_{2}$

$^{1}$ A, M. Dunker and R. G. Cordon, J. Chem. Phys. 64, 354 (1976).Author Institution: Chemistry Division, Argonne National Laboratory; Department of Chemistry, University of ChicagoThe vertical spectrum of $CO_{2}$ was computed by the SCF method. The Hartree-Fock limit Slater orbital basis for the ground state $(^{1}\Sigma_{g}^{+}$, McLean and Yoshimine, IBM Journal of Research and Development, 1967) was supplemented with five even-tempered diffuse Slater-type functions each of s, p, and d symmetry on carbon. Orbital properties (energy, radial expectation values) are also reported which characterize the nature of the state. Most low-lying electronic states are included