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Home All issues Volume 495 / No 2 (February IV 2009) A&A, 495 2 (2009) 513-521 Full HTML
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Table 4:

Vdz/CASSCF optimized structural parameters.
State T0 (eV) th/exp R(C1-C2) R(C2-C3) R(C3-C4) $\theta 1$ $\theta 2$
$^3\Pi_u$ 0.89/0.93 1.27 1.33 1.27 180 180
$^3 \Pi _g$ 0.63/0.82 1.28 1.34 1.28 180 180
$^3\Sigma_g^{-}$ 0 1.32 1.30 1.32 180 180
Distances R in $\AA$, angles in degrees and total energies are with respect to the $\rm {X^3 \Sigma}^-_g$ state. The results presented in the table are from this work except the experimental data, which are from Linnart et al. (2000) for $\rm { ^3\Pi}_g$ and Xu et al. (1997) for $\rm {^3\Pi}_u$.

Source LaTeX | All tables | In the text

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