AN MCSCF + CI CALCULATION OF THE FIVE LOWEST BOUND STATES OF CN
Loading...
Date
1976
Journal Title
Journal ISSN
Volume Title
Publisher
Ohio State University
Abstract
The electronic potential curves for the $X^{2}\Sigma^{+}, B^{2}\Sigma^{+}, A^{2}\Pi$, lowest $^{4}\Sigma^{+}$, and lowest $^{4}\Pi$ states of CN have been calculated. The calculation used approximately 50 configurations in an MCSCF calculation, followed by nearly 1000 configurations in a CI calculation. The dissociation energies, electronic dipole moments, allowed electronic transition moments and spectroscopic constants will be presented and compared with experiment and previous calculations where available.
Description
Author Institution: Ames Research Center, NASA