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

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

doi:10.1021/jp960526z

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

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

Research output: Contribution to journal › Article › peer-review

13 Scopus citations

Abstract

The electronic structure of TiP in its ground ²Σ⁺ and low-lying excited states (²Δ, ²Π_r, 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
Pages (from-to)	13971-13975
Number of pages	5
Journal	Journal of Physical Chemistry
Volume	100
Issue number	33
DOIs	https://doi.org/10.1021/jp960526z
State	Published - Aug 15 1996
Externally published	Yes

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@article{7c7b8fd5ab7c4a3bab6d8edb634f5654,

title = "Electronic structure of the ground and low-lying excited states of TiP",

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.",

author = "Glezakou, \{V. A.\} and Aristides Mavridis and Harrison, \{James F.\}",

year = "1996",

month = aug,

day = "15",

doi = "10.1021/jp960526z",

language = "English",

volume = "100",

pages = "13971--13975",

journal = "Journal of Physical Chemistry",

issn = "0022-3654",

number = "33",

}

TY - JOUR

T1 - Electronic structure of the ground and low-lying excited states of TiP

AU - Glezakou, V. A.

AU - Mavridis, Aristides

AU - Harrison, James F.

PY - 1996/8/15

Y1 - 1996/8/15

N2 - 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.

AB - 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.

UR - https://www.scopus.com/pages/publications/0037747520

U2 - 10.1021/jp960526z

DO - 10.1021/jp960526z

M3 - Article

AN - SCOPUS:0037747520

SN - 0022-3654

VL - 100

SP - 13971

EP - 13975

JO - Journal of Physical Chemistry

JF - Journal of Physical Chemistry

IS - 33

ER -

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

Abstract

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