AB-INITIO CALCULATION OF THE VIBRONIC SPE CTRUM OF GESI - VALENCE STATES OF GESI+

Citation
Fl. Sefyani et al., AB-INITIO CALCULATION OF THE VIBRONIC SPE CTRUM OF GESI - VALENCE STATES OF GESI+, Journal de physique. II, 4(3), 1994, pp. 439-453
Citations number
39
Categorie Soggetti
Physics, Atomic, Molecular & Chemical",Mechanics
Journal title
ISSN journal
11554312
Volume
4
Issue
3
Year of publication
1994
Pages
439 - 453
Database
ISI
SICI code
1155-4312(1994)4:3<439:ACOTVS>2.0.ZU;2-C
Abstract
On the basis of ab-initio calculations of valence state energies and t ransition moments, it is shown that the ground state of the GeSi molec ule, as yet unobserved in the gas phase, is a triplet state and that i ts absorption electronic spectrum (Rydberg excluded) consists of three charge transfer triplet-triplet systems which appear in the near ultr aviolet. In emission, apart from these three systems and their singlet -singlet counterparts, an electronic transition between singlet states should be observed in the infrared. Additional calculations on GeSipredict a 4SIGMA- ground state for this ion.