Ab initio study of the HeAr+ ion: potential energy curves for the lowest states, spin-orbit coupling and predissociation rates

✍ Scribed by Bernhard Gemein; Sigrid D. Peyerimhoff

• Publisher: Elsevier Science
• Year: 1990
• Tongue: English
• Weight: 592 KB
• Volume: 173
• Category: Article
• ISSN: 0009-2614
• DOI: 10.1016/0009-2614(90)85294-m

✦ Synopsis

Multi-reference configuration interaction calculations are carried out for the three lowest states, X *Z+, A *IT and B ?Z+, of the HeAr+ ion. The spin-orbit interaction between the Born-Oppenheimer states X ?Z+ and A 21T is calculated up to second order by employing the Breit-Pauli Hamiltonian. The results are employed to construct the potentials for 211s,2 and 2H,,2 states. Predissociation rates of the rotational levels in the *HI,, (v=O) state are also calculated on the basis of the computed ab initio data, taking into account radial coupling between the X *IF and A 2H1,2 states.