𝔖 Bobbio Scriptorium
✦   LIBER   ✦

A CAS SCF CI study of the 1Σ+g and 3IIu states of the C2 molecule and the 4Σ−g and 2IIu states of the C+2 ion

✍ Scribed by Wolfgang P. Kraemer; Björn O. Roos

Book ID
107942304
Publisher
Elsevier Science
Year
1987
Tongue
English
Weight
954 KB
Volume
118
Category
Article
ISSN
0301-0104

No coin nor oath required. For personal study only.

📜 SIMILAR VOLUMES

Theoretical study of the 2Σu+ and 2Σg+ s
Theoretical study of the 2Σu+ and 2Σg+ states of Li2− and Na2−
✍ K.K. Sunil; K.D. Jordan 📂 Article 📅 1984 🏛 Elsevier Science 🌐 English ⚖ 546 KB

Ab initio ~.kulations are performed 10 obtiin potenti energy curves for the X lx', state of Liz and Na\_. and the >; 2~; and A 'C; Ufcs of their anions The A 'Xi 31; curves are fwund IO mtersect the X 'z~>!z curves at lo\\ ener~res and are expected to phy ;! mtljor role in the e-+ hlz -hl-+ 11 proce

Spin–orbit induced predissociation of th
Spin–orbit induced predissociation of the B2Σg− and 22Σg+ states of the O2+ ion
✍ A. Mitrushenkov; P. Palmieri; G. Chambaud; P. Rosmus 📂 Article 📅 2003 🏛 Elsevier Science 🌐 English ⚖ 181 KB

Highly correlated MRCI electronic wavefunctions are used to calculate the potential energy functions, the nonadiabatic and the spin-orbit coupling elements for the B 2 R À g and neighboring states of the O þ 2 ion. The results are employed in calculations of the spectroscopic constants and the spin-