Long‐ and intermediate‐range interaction in three lowest sigma states of the HeH+ ion
- 1 March 1976
- journal article
- research article
- Published by Wiley in International Journal of Quantum Chemistry
- Vol. 10 (2) , 217-224
- https://doi.org/10.1002/qua.560100203
Abstract
Accurate variational energies have been calculated for three lowest sigma states of the HeH+ ion. This includes the ground state (5 ≤ R ≤ 9 a.u.) which dissociates into He + H+, as well as the A 1Σ+ state (4 ≤ R ≤ 10) and the a 3Σ+ state (3 ≤ R ≤ 10) which both dissociate into He+ + H. The variational results are compared with those obtained using a perturbation theory expansion.Keywords
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