Abstract
A theory was proposed for the formation of intensity of the forbidden singlet–singlet c 1Σ u – → b 1Σ g + transition in the oxygen molecule. The dipole moments of transitions that contribute to the formation of the intensity of the c–b transition in the range of internuclear distances of 1.2–2.0 Å were calculated using the configuration interaction method with a valence triple-zeta basis set. Based on these results, the electric dipole moment for the c 1Σ u – → b 1Σ g + transition was calculated.
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Minaev, B.F., Yashchuk, L.B. Electronic–Rotational Coupling and c 1 Σ – u –b 1 Σ + g Transition Probability in the Oxygen Molecule. High Energy Chemistry 38, 209–214 (2004). https://doi.org/10.1023/B:HIEC.0000035405.34389.fa
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DOI: https://doi.org/10.1023/B:HIEC.0000035405.34389.fa