|
Document Type |
: |
Article In Journal |
|
Document Title |
: |
Ab Initio Spectroscopic Study for the NaRb Molecule in Ground and Excited States Ab Initio Spectroscopic Study for the NaRb Molecule in Ground and Excited States |
|
Subject |
: |
physics |
|
Document Language |
: |
English |
|
Abstract |
: |
A wide adiabatic study is performed for NaRb molecule, involving 15(1)sigma(+) electronic states
including the ionic state Na-Rb+, as well as 14(3)sigma(+), 1-9(1,3), and 1-5(1,3) states. This
investigation is performed using an ab initio approach which involves the effective core potential, the
core polarization potential with l-dependent cut-off functions. The NaRb system has been treated as a
two-electron system and the full valence configuration interaction is easily achieved. The spectroscopic
constants R-e, D-e, T-e, (e), (e)x(e), B-e, and D-0 for all these states are derived. We have also
computed the vibrational levels as well their spacing for different values of J. In addition, permanent and
transition dipole moments are determined and analyzed. The Dunham coefficients have been used to
perform experimental spacing to compare directly with our results. The present calculations on NaRb
extend previous theoretical works to numerous electronic excited states in the various symmetries |
|
ISSN |
: |
0020-7608 |
|
Journal Name |
: |
INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY |
|
Volume |
: |
114 |
|
Issue Number |
: |
11 |
|
Publishing Year |
: |
1435 AH
2014 AD |
|
Article Type |
: |
Article |
|
Added Date |
: |
Tuesday, August 1, 2017 |
|
Researchers
| Maha Chaieb, | Chaieb,, Maha | Investigator | Doctorate | |
| Hela Habli | Habli, Hela | Researcher | Doctorate | |
| Leila Mejrissi | Mejrissi, Leila | Researcher | Doctorate | |
| Brahim Oujia | Oujia, Brahim | Researcher | Doctorate | |
| Florent Xavier Gadea | Gadea, Florent Xavier | Researcher | Doctorate | |
|