Computer Science
Scientific paper
Apr 1982
adsabs.harvard.edu/cgi-bin/nph-data_query?bibcode=1982jqsrt..27..459c&link_type=abstract
Journal of Quantitative Spectroscopy and Radiative Transfer, vol. 27, Apr. 1982, p. 459-465.
Computer Science
10
Electron States, Electron Transitions, Infrared Spectra, Internuclear Properties, Nitric Oxide, Potential Energy, Dipole Moments, Electron Orbitals, Ground State, Least Squares Method, Molecular Interactions, Photodissociation
Scientific paper
The variation of the electronic transition moment with internuclear separation has been calculated for the beta and delta systems of NO. Theoretical band intensities for the fundamental and first two overtones have also been calculated for the ground state. The results are based on the self-consistent-field plus configuration-interaction technique, and they are compared with the existing experimental data. Theoretical potential-energy curves and the spectroscopic constants for the X-squared Pi, B-squared Pi, and C-squared Pi electronic states of NO are also reported.
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