A. R. Allouche, K. Alioua, M. Bouledroua and M. Aubert-Frécon (2009) Ab initio potential energy curves and transition dipole moments for the interaction of a ground state He with Na(3s–3p). Chemical Physics , 355(), 85–89, Elsevier
Scientific Publications
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Abstract
Potential energy curves of the states X 2R+, B (1)2R+ and A (1)2P of the NaHe molecule have been calculated
accurately in a large range of internuclear distances R from SA-CASSCF-MRCI calculations, using
molecular orbitals expanded in cc-pV5Z basis sets. Transition dipole moments have also been calculated
for the X–B, X–A and A–B transitions, in the same range of R. Their long-range behaviour have been
considered
accurately in a large range of internuclear distances R from SA-CASSCF-MRCI calculations, using
molecular orbitals expanded in cc-pV5Z basis sets. Transition dipole moments have also been calculated
for the X–B, X–A and A–B transitions, in the same range of R. Their long-range behaviour have been
considered
Information
| Item Type | Journal |
|---|---|
| Divisions |
» Laboratory of Physics for Matter and Radiation |
| ePrint ID | 322 |
| Date Deposited | 2015-03-07 |
| Further Information | Google Scholar |
| URI | https://univ-soukahras.dz/en/publication/article/322 |
BibTex
@article{uniusa322,
title={Ab initio potential energy curves and transition dipole moments for the interaction of a ground state He with Na(3s–3p)},
author={A. R. Allouche, K. Alioua, M. Bouledroua and M. Aubert-Frécon},
journal={Chemical Physics}
year={2009},
volume={355},
number={},
pages={85–89},
publisher={Elsevier}
}
title={Ab initio potential energy curves and transition dipole moments for the interaction of a ground state He with Na(3s–3p)},
author={A. R. Allouche, K. Alioua, M. Bouledroua and M. Aubert-Frécon},
journal={Chemical Physics}
year={2009},
volume={355},
number={},
pages={85–89},
publisher={Elsevier}
}