Theoretical study of the lowest states of CsH and Cs2
- 14 August 1983
- journal article
- Published by IOP Publishing in Journal of Physics B: Atomic and Molecular Physics
- Vol. 16 (15), 2659-2675
- https://doi.org/10.1088/0022-3700/16/15/010
Abstract
The 19 lowest states of CsH and the 11 lowest states of Cs2 have been calculated using a non-empirical relativistic effective core potential considering the caesium atom as a one-electron system. The core-valence polarisation and correlation energy has been included employing a recently developed perturbation treatment. The experimental atomic spectrum of caesium is well reproduced. The calculated energy curves show the remarkable precision of this procedure for the ground-state characteristics. For CsH, Re=4.47 Bohr (experimental 4.71 Bohr), De=1.80 eV (experimental 1.83 eV), omega e=871 cm-1 (experimental 891 cm-1); for Cs2, Re=8.75 Bohr (experimental 8.78 Bohr), De=0.40 eV (experimental 0.45 eV), omega e=41 cm-1 (experimental 42 cm-). The well-to-well transition energies are in error by less than 400 cm-1 for experimentally known transitions.Keywords
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