✦ LIBER ✦

On the low-lying states of TiC

✍ Scribed by Charles W. Bauschlicher Jr.; Per E.M. Siegbahn

Publisher: Elsevier Science
Year: 1984
Tongue: English
Weight: 527 KB
Volume: 104
Category: Article
ISSN: 0009-2614
DOI: 10.1016/0009-2614(84)80074-3

No coin nor oath required. For personal study only.

✦ Synopsis

The ground and low-lying excited states of Tic are investigated using a CASSCF-externally contracted Cl spproach_ The c;tlculations yield a 3X* ground state, but the lx+ state is only 780 cm-t h&her and r3nnot be ruled out. The low-lying states have some triple bond character. The nature of the bonding and o&in of the states are discussed.

📜 SIMILAR VOLUMES

On the low-lying states of tin

✍ Charles W. Bauschlicher Jr. 📂 Article 📅 1983 🏛 Elsevier Science 🌐 English ⚖ 403 KB

On the low-lying electronic states of Bi

On the low-lying electronic states of BiF

✍ K. Balasubramanian 📂 Article 📅 1986 🏛 Elsevier Science 🌐 English ⚖ 503 KB

## Relativistic CI calculations on the low-lying states of BiF(O+, 1, 2, O+ (II)) arising from the Q\*P\* configuration are carried out. Comparison calculations of the X-s states without spin-orbit interaction (3Z-, IX+ and 'A) are also presented. These calculations enable the assignment of three

The Low-Lying States of He2

✍ C. Focsa; P.F. Bernath; R. Colin 📂 Article 📅 1998 🏛 Elsevier Science 🌐 English ⚖ 195 KB

The near-infrared emission spectrum of He 2 , excited in a Be hollow cathode discharge, has been recorded at high resolution using a Fourier transform spectrometer. The c 3 ⌺ g ϩ -a 3 ⌺ u ϩ (0 -0, 1-1, 2-2, 1-0, and 2-1) and C 1 ⌺ g ϩ -A 1 ⌺ u ϩ (0 -0 and 1-1) transitions have been observed in the 9

Low-lying states of cs22+

✍ G. Das; R.C. Raffenetti 📂 Article 📅 1980 🏛 Elsevier Science 🌐 English ⚖ 319 KB

On the nature of the low-lying states of

On the nature of the low-lying states of TiO

✍ Charles W. Bauschlicher Jr.; Paul S. Bagus; Constance J. Nelin 📂 Article 📅 1983 🏛 Elsevier Science 🌐 English ⚖ 549 KB

A series of CAS SCF calculations are used to describe the lowest states of TiO. TiO is described IS having polarized double bonds involving the Ti 3d orbitols. The nature of the excited states is discussed.

The low-lying electronic states of LiB

✍ Alessandra Ricca; Charles W. Bauschlicher Jr. 📂 Article 📅 1995 🏛 Elsevier Science 🌐 English ⚖ 464 KB

The spectroscopic constants for the triplet and singlet states of LiB below about 30000 cm-~ are determined using an intemally contracted multireference configuration-interaction approach. The ground state is 311 as found in previous work. Transitions between the 311 state and the (1)3E-, (2)3II, an