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.
Original language | English |
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Pages (from-to) | 13971-13975 |
Number of pages | 5 |
Journal | Journal of Physical Chemistry |
Volume | 100 |
Issue number | 33 |
DOIs | |
State | Published - Aug 15 1996 |
Externally published | Yes |