ISSN:
1432-2234
Keywords:
Key words: Autoionization
;
Fine structure
;
Spin-spin
;
interactions
Source:
Springer Online Journal Archives 1860-2000
Topics:
Chemistry and Pharmacology
Notes:
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.
Type of Medium:
Electronic Resource
URL:
http://dx.doi.org/10.1007/s002140050365
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