ISSN:
1432-2234
Keywords:
Key words: ${} ^2P_{1\over 2} \hbox{-}{} ^2P_{3 \over 2} $ splitting
;
Thallium atom
;
Spin-orbit effects
Source:
Springer Online Journal Archives 1860-2000
Topics:
Chemistry and Pharmacology
Notes:
Abstract. The splitting between the ${} ^2P_{3 \over 2} $ and the ${} ^2P_{1 \over 2} $ terms in the thallium atom has been calculated at the perturbation theory level and by spin-orbit CI calculations, using both the Breit-Pauli and the no-pair form of the microscopic spin-orbit Hamiltonian. The importance of the spin-other-orbit contribution to the spin-orbit splitting is investigated, and it is also shown that an averaging procedure of the kinematic factors in the expression for the spin-other-orbit integrals in the no-pair spin-orbit Hamiltonian yields highly accurate results. A slightly modified version of a previously proposed mean-field spin-orbit method is shown to have an accuracy of a few wave numbers. Perturbation theory is found to give a term-splitting which is too low by more than 1000 cm−1, while spin-orbit CI with the no-pair form of the spin-orbit operator with the averaged spin-other-orbit term, and the no-pair mean-field operator, gives results in good agreement with experimental data.
Type of Medium:
Electronic Resource
URL:
http://dx.doi.org/10.1007/s002140050268
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