화학공학소재연구정보센터
Chemical Physics Letters, Vol.432, No.1-3, 11-16, 2006
Transition probabilities and spectroscopic properties of the low-lying states of GeC molecule
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. (c) 2006 Elsevier B.V. All rights reserved.