THEORETICAL-STUDY OF THE LOW-LYING STATES OF GEC

Citation
Fl. Sefyani et al., THEORETICAL-STUDY OF THE LOW-LYING STATES OF GEC, Molecular physics, 83(1), 1994, pp. 1-8
Citations number
44
Categorie Soggetti
Physics, Atomic, Molecular & Chemical
Journal title
ISSN journal
00268976
Volume
83
Issue
1
Year of publication
1994
Pages
1 - 8
Database
ISI
SICI code
0026-8976(1994)83:1<1:TOTLSO>2.0.ZU;2-L
Abstract
Energies and structural properties of the valence electronic states of the as yet unknown GeC molecule have been determined via ab initio mu ltireference configuration interaction calculations. The ground state is found to have a 3PI symmetry. A simple discussion relating to the n ature of the ground state of group IV-A diatomics is given on the basi s of a competition between orbital energies and Coulombic effects.