Electronic States of Molecules. I. Self-Consistent Field Calculations of the Ground, Ionized, and Excited States of N2 and O2
- 15 May 1965
- journal article
- research article
- Published by AIP Publishing in The Journal of Chemical Physics
- Vol. 42 (10) , 3612-3620
- https://doi.org/10.1063/1.1695767
Abstract
A number of electronic states of N2 and O2 have been computed using the self‐consistent‐field—molecular orbital (SCF–MO) method. The calculated ionization, excitation, and total energies are compared with the available experimental data, as well as with those reported by other workers.Keywords
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