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

V. A. Glezakou, Aristides Mavridis, James F. Harrison

Research output: Contribution to journalArticlepeer-review

13 Scopus citations

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 languageEnglish
Pages (from-to)13971-13975
Number of pages5
JournalJournal of Physical Chemistry
Volume100
Issue number33
DOIs
StatePublished - Aug 15 1996
Externally publishedYes

Fingerprint

Dive into the research topics of 'Electronic structure of the ground and low-lying excited states of TiP'. Together they form a unique fingerprint.

Cite this