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Transition probabilities and spectroscopic properties of the low-lying states of GeC molecule

Authors :
Ueno, Leonardo T.
Marim, L.R.
Dal Pino, A.
Ornellas, Fernando R.
Machado, Francisco B.C.
Source :
Chemical Physics Letters. Dec2006, Vol. 432 Issue 1-3, p11-16. 6p.
Publication Year :
2006

Abstract

Abstract: The low-lying electronic states of GeC are investigated at a high level of correlation treatment using the CASSCF/MRSDCI approach, and the aug-cc-pVQZ basis set. Potential energy curves, spectroscopic properties, dipole moment and transition moment functions are given for all electronic singlet, triplet and quintet states that dissociate into the first channel. Transition probabilities and radiative lifetimes are also predicted using the Einstein coefficients. [Copyright &y& Elsevier]

Details

Language :
English
ISSN :
00092614
Volume :
432
Issue :
1-3
Database :
Academic Search Index
Journal :
Chemical Physics Letters
Publication Type :
Academic Journal
Accession number :
23220657
Full Text :
https://doi.org/10.1016/j.cplett.2006.10.022