THE OPACITY OF TiO
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Date
1999
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Ohio State University
Abstract
We have computed a high temperature (4,000K) opacity database for TiO. The electronic states considered are $X ^{3}\Delta, E^{3}\Pi, D^{3}\Sigma, A^{3}\Phi, B^{3}\Pi, C^{3}\Delta, a^{1}\Delta, d^{1}\Sigma^{+}, b^{1}\Pi, c^{1}\Phi, f^{1}\Delta$ and two additional singlets, which we call $g ^{1}\Gamma$, and $h ^{1}\Sigma^{+}$. These calculations include spin-orbit and rotation-orbit coupling of the electronic states, so we explicitly obtain predictions for both allowed and forbidden transitions. When possible, the potential energy curves and spin-orbit and rotation-orbit functions were parameterized by fitting to experimental data, and when not possible, the results from ab initio electronic structure theory are used. It was possible to fit experimental data very well for most bands, with the exceptions being the B and C states. It is probable that experimental data for $v \geq 2$ is required to improve the description of the B state. The transition moments and dipole moments used were obtained from ab initio electronic structure calculations.
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Author Institution: NASA Ames Research Center, Mail Stop 230-3