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Theoretical study of the lowest potential curves of NaK

โœ Scribed by Gwang-Hi Jeung; Jean-Pierre Daudey; Jean-Paul Malrieu

Publisher
Elsevier Science
Year
1983
Tongue
English
Weight
486 KB
Volume
94
Category
Article
ISSN
0009-2614

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โœฆ Synopsis

Io~wst nine SKIWS of Nal; have been calculated with large Ci using non-empirical pseudopotentials.

A recently dewlqwd prrturlurion treatIncnt of the core-xalence polarization 2nd correlation effects is applied. It greatly improves the ralcul;ltcd aIonlic wergies of Na and K;; and appems to be vcr~ important for energy curves of NaK. leading to an overall good agrerrncnt \viIh Ihe rspcrinwnral resulls.

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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