Electronic structure of the ground and low-lying excited states of TiP

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Publication date
1 January 1996
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Abstract

The electronic structure of TiP in its ground 2Σ+ and low-lying excited states (2Δ, 2Πr, and 4Δ) has been studied, using MCSCF and multireference CI techniques. We report bond energies, bond lengths, vibrational frequencies, dipole moments, and charge distributions. Additionally, we compare these results with previously reported results for TiN. © 1996 American Chemical Society

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