Spin-orbit and spin-spin couplings in He2 and He2? |
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Authors: | N Bjerre A O Mitrushenkov P Palmieri P Rosmus |
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Institution: | (1) Institute of Physics and Astronomy, University of Aarhus, DK-8000 Aarhus C, Denmark, DK;(2) Department of Theoretical Physics, Institute of Physics, St. Petersburg University, 198904 St. Petersburg, Russia, RU;(3) Dipartimento di Chimica Fisica ed Inorganica, Università di Bologna, Viale Risorgimento 4, I-40136 Bologna, Italy, IT;(4) Theoretical Chemistry Group, Univerisitè Marne la Vallè, F-93166 Noisy-le-Grand, France, FR |
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Abstract: | The spin-orbit and the spin-spin coupling constants of the 4Πg state of the He2
− ion, of the parent a3Σu
+, and of the b3Πg states of He2 have been evaluated by a multireference configuration interaction method. The theoretical spin-spin splittings of the a3Σu
+ state and the R-dependent spin-spin function are found to be in excellent agreement with experiment, with deviations in the range of a few
MHz. The theoretical spin-orbit constants and splittings of the b3Πg state are larger than the experimental values by about 370 MHz. The spin-orbit coupling constant of the 4Πg state of He2
− is␣estimated to be three times smaller than in the b3Πg state, but one of the intramultiplet off-diagonal spin-spin interactions is predicted to give a large contribution to the
fine structure of the metastable ion. The theoretical fine structure constants for the He2
− ion are expected to␣aid future spectroscopic investigations of the fine structure splittings of the negative ion.
Received: 14 April 1998 / Accepted: 27 July 1998 / Published online: 19 October 1998 |
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Keywords: | : Autoionization Fine structure Spin-spin interactions |
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