Σ molecular states for (BaX)2+where X=H, Li, Na, K or Rb
- 28 March 1986
- journal article
- Published by IOP Publishing in Journal of Physics B: Atomic and Molecular Physics
- Vol. 19 (6) , 857-871
- https://doi.org/10.1088/0022-3700/19/6/009
Abstract
Molecular Sigma states for BaX2+ with X=H, Li, Na, K or Rb are calculated using a one-electron Hamiltonian model. The active electron is described for the Li atom by a model potential and for Na, K and Rb atoms by a local pseudopotential, whereas for the Ba+ ion the authors use a new approach that involves both these methods. They predict stable states for states that dissociate into Ba2++X (ground state), with well depths of 1.46, 0.35, 0.3, 0.55 and 0.55 eV for X=H, Li, Na, K and Rb, respectively. They predict long-lived states for Ba+(6s)+X+, with well depths of 0.1, 0.6, 0.3 and 0.1 eV for X+=H+, Li+, Na+ and K+.Keywords
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