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Abstract
We report on extensive calculations of quasi-relativistic potential energy curves and, for the first time, transition dipole moments including spin-orbit and scalar-relativistic effects of the NaRb molecule. The calculated curves of the 0+, 0-, 1, 2 and 3 molecular states correlate for large internuclear separation with the fourteen lowest atomic energies up to the Na(3s ^2S_{1/2}) + Rb(7s ^2S_{1/2}) atomic limit. Several new features of the potential energy curves have been found.
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Authors (5)
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Hermann Stoll prof.
- University of Stuttgart Institute for Theoretical Chemistry
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- Category:
- Articles
- Type:
- artykuł w czasopiśmie wyróżnionym w JCR
- Published in:
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CHEMICAL PHYSICS
no. 500,
pages 80 - 87,
ISSN: 0301-0104 - Language:
- English
- Publication year:
- 2018
- Bibliographic description:
- Wiatr M., Jasik P., Kilich T., Sienkiewicz J., Stoll H.: Quasirelativistic potential energy curves and transition dipole moments of NaRb// CHEMICAL PHYSICS. -Vol. 500, (2018), s.80-87
- DOI:
- Digital Object Identifier (open in new tab) 10.1016/j.chemphys.2017.10.005
- Verified by:
- Gdańsk University of Technology
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