Ground and low-lying electronic states of the diatomic molecule TiV from quantitative multireference ab initio calculations.

Key Points

• This research investigates the lowest electronic states of the diatomic molecule TiV.
• Utilized first principles calculations based on the multireference configuration interaction technique.
• Employed large correlation consistent basis sets for accurate results.
• Identified the ground electronic state and other low-lying states of the TiV molecule.