Back to Search
Start Over
A MRCI study of the low-lying electronic states of the BeAl molecule
- Source :
-
Chemical Physics . Nov2006, Vol. 330 Issue 1/2, p295-300. 6p. - Publication Year :
- 2006
-
Abstract
- Abstract: In this work is presented, for the first time, an accurate spectroscopic characterization of the lowest-lying doublet and quartet states of BeAl molecule. We used a high level CASSCF/MRCI correlation methodology and the aug-cc-pVQZ basis set. The behavior of the dipole moment and the transition dipole moment functions are described, and transition probabilities and radiative lifetimes are also predicted using the Einstein coefficients. [Copyright &y& Elsevier]
- Subjects :
- *STATISTICAL correlation
*DIELECTRICS
*DIPOLE moments
*MAGNETIC dipoles
Subjects
Details
- Language :
- English
- ISSN :
- 03010104
- Volume :
- 330
- Issue :
- 1/2
- Database :
- Academic Search Index
- Journal :
- Chemical Physics
- Publication Type :
- Academic Journal
- Accession number :
- 22996121
- Full Text :
- https://doi.org/10.1016/j.chemphys.2006.08.024