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• W2093766314 abstract "Potential energy and dipole moment functions have been calculated for the X 1σ+ state of SiO and for the X2σ+ and A2 Π states of SiO+ using MC SCF wavefunctions and large basis sets. For SiO the calculated dipole moment of 3.01 D is in good agreement wth the experimental value of 3.088 D. The dipole moments of the X and A states of SiO+ are calculated to be 4.28 D and 2.89 D. respectively. For SiO+ the transition moment function between the X and A states has also been evaluated, and rates for all important transitions within and between the X and A states are given (υ ⩽ 10): The SiO+ ion is predicted to be an excellent IR emitter. It is found that all vibrational levels between 1 ⩽ υ ⩽ 10 of the X 2σ+ state are almost entirely radiatively depopulated via transitions into energetically lower-lying vibrational levels of the A2Π state. From the transition rates radiative lifetimes for the first ten vibrational levels of each state have be predicted. For the X state they lie between 70 μs and 423 ms and for the A state between 140 μs and 336 ms." @default.
• W2093766314 created "2016-06-24" @default.
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• W2093766314 date "1982-12-01" @default.
• W2093766314 modified "2023-09-23" @default.
• W2093766314 title "Ab initio calculations of radiative transition probabilities in the X1σ+ state of SiO and the X 2σ+and A 2 Π states of SiO+" @default.
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• W2093766314 doi "https://doi.org/10.1016/0301-0104(82)85158-6" @default.
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