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- W1981314892 abstract "To explore the effects of electron correlation on fine-structure constante, the spin-spin interaction λss in the 3Σ−g ground state of O2 is studied with single-configuration and configuration-interaction wave-functions of varying quality. All integrals are computed accurately to 10−5 au.. It is found that λss = = 0.77 ± 0.02 cm− for all the single configuration functions studied (including a close approach to the) Hartree-Fock limit), but that configurational mixing lowers λss to 0.5 cm−1. This reduction is brought about primarily by the double excitation πuπu→πgπg. Comparing our results with previous calculations and with the experimental data of Tinkham and Strandberg, we conclude that spin-orbit coupling plays a predominant role in determining the observed fine-structure splittings of O2." @default.
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- W1981314892 date "1970-06-01" @default.
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- W1981314892 title "Fine-structure interactions in the ground state of O2" @default.
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- W1981314892 doi "https://doi.org/10.1016/0009-2614(70)85128-4" @default.
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