Calculation of the fine structure of the triplet state
$$\tilde a^3 A_2 $$
of the ozone molecule by the method of multiconfiguration self-consistent field |
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| Authors: | B F Minaev E M Khomenko E A Bilan L B Yashchuk |
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| Institution: | (1) Cherkassy State Technological University, Cherkassy, 18006, Ukraine |
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| Abstract: | The zero-field splitting of the \(\tilde a^3 A_2 \) state of the O3 molecule is interpreted on the basis of ab initio quantum-chemical calculations. The spin—orbit coupling with the ground X1A1 state is shown to make the main contribution to the zero-field splitting of the \(\tilde a^3 A_2 \) term (the state of the 3σπ type). The calculated parameters D and E agree well with experiment. |
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