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Potential energy curves of ICl and non-adiabatic interactions studied by the spin-orbit CI method

โœ Scribed by Satoshi Yabushita


Book ID
114143338
Publisher
Elsevier Science
Year
1999
Tongue
English
Weight
247 KB
Volume
461-462
Category
Article
ISSN
0166-1280

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โœ Bernhard Gemein; Sigrid D. Peyerimhoff ๐Ÿ“‚ Article ๐Ÿ“… 1990 ๐Ÿ› Elsevier Science ๐ŸŒ English โš– 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