ANIONIC STATES OF LIFLI

Citation
M. Gutowski et J. Simons, ANIONIC STATES OF LIFLI, The Journal of chemical physics, 100(2), 1994, pp. 1308-1311
Citations number
28
Categorie Soggetti
Physics, Atomic, Molecular & Chemical
ISSN journal
00219606
Volume
100
Issue
2
Year of publication
1994
Pages
1308 - 1311
Database
ISI
SICI code
0021-9606(1994)100:2<1308:ASOL>2.0.ZU;2-N
Abstract
Our ab initio theoretical calculations indicate that the LiFLi- anion possesses two bound states which are of (1) Sigma(g)(+) and (3) Sigma( u)(+) symmetry and which have vertical detachment energies of 0.94 and 0.89 eV, respectively. The LiFLi+ cation and the first four electroni c states of the neutral LiFLi were also considered. The Renner-Teller splitting for the excited (2) Pi(u) state of the neutral is reported. The neutral and both ions are thermodynamically stable.