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Ab initio potential energy curves, transition dipole moments and spin–orbit coupling matrix elements for the first twenty states of the calcium dimer

✍ Scribed by Bussery-Honvault, Béatrice; Moszynski, Robert


Book ID
111900378
Publisher
Taylor and Francis Group
Year
2006
Tongue
English
Weight
301 KB
Volume
104
Category
Article
ISSN
0026-8976

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Ab initio study of the HeAr+ ion: potent
✍ Bernhard Gemein; Sigrid D. Peyerimhoff 📂 Article 📅 1990 🏛 Elsevier Science 🌐 English ⚖ 592 KB

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. Th