Astronomy and Astrophysics – Astrophysics
Scientific paper
Oct 1994
adsabs.harvard.edu/cgi-bin/nph-data_query?bibcode=1994apj...434..816s&link_type=abstract
Astrophysical Journal, Part 1 (ISSN 0004-637X), vol. 434, no. 2, p. 816-823
Astronomy and Astrophysics
Astrophysics
5
Carbon, Electron Oscillations, Electron Transitions, Infrared Radiation, Molecular Energy Levels, Silicon, Silicon Carbides, Computerized Simulation, Wave Functions
Scientific paper
Ab initio calculations of the electronic transition moments for all the dipole-allowed systems connecting two valence electronic states of SiC and Si2 have been carried out using multireference configuration interaction wave functions. The 1Sigma(+) diabatic potential curves are found to exhibit an avoided crossing just in the region of equilibrium internuclear separations. The resulting configuration mixing in the Born-Oppenheimer states induces a constructive interference effect that enhances intensities of the d 1Sigma(+) - b 1Pi low-v vibronic transitions both in SiC and in Si2, but not in C2. Ab initio absolute vibronic oscillator strengths and emission probabilities are given for the d-b transitions. The calculated lifetimes of the lowest v prime levels of the d 1Sigma(+) state decrease as v prime increases, especially in SiC. At v prime = 0 they are calculated to be 8.3 microseconds in Si2 and 18.6 microseconds in SiC.
Schamps Joel
Sefyani Fouad L.
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