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- Title
Theoretical investigation of the electronic properties of alkali atoms interacting with helium rare gas using a pseudopotential approach.
- Authors
Ben Hadj Ayed, Mouna; Hamdi, Rafika; Ghalla, Houcine; Oujia, Brahim; Gadéa, Florent Xavier
- Abstract
In this work, electronic properties of alkali atoms interacting with helium rare gas (CsHe and RbHe) are studied through a full configuration interaction calculation, in cooperation with a pseudopotential approach and core polarization potential. The adiabatic potential energy curves for the ground state and numerous excited states of CsHe and RbHe systems are investigated. The corresponding spectroscopic constants such as equilibrium distance Re, well depth De, vibrational constant ωe, anharmonic constant, rotational constant Be, and transition energy Te as well as the vibrational levels of all electronic states are computed. Finally, permanent and transition dipole moment curves for the sigma states are determined and analyzed.
- Subjects
ALKALI analysis; HELIUM; NOBLE gases; PSEUDOPOTENTIAL method; DIPOLE moments
- Publication
Theoretical Chemistry Accounts: Theory, Computation, & Modeling, 2018, Vol 137, Issue 6, p1
- ISSN
1432-881X
- Publication type
Article
- DOI
10.1007/s00214-018-2266-4