Table 4
Experimental and computed g factors of O2 and SO.
| Parameter | O2 | SO | |||||||||||||||||||
|
|
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| Experimenta | Calculatedb | Experimentc | Calculatedd | C&V (1978)e | |||||||||||||||||
|
|
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| Fit I | Fit II | Fit III | Fit IV | Fit V | |||||||||||||||||
|
|
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| g s | 2.002084(16) | 2.002028 | 2.00262(19) | –. f | 2.00234(14) | 2.00262(19) | 2.00233(14) | 2.002114 | 2.002120(29) | ||||||||||||
| g l | 0.00277(2) | 0.002766 | 0.00348(30) | 0.00401(22) | –. f | 0.00352(28) | –. f | 0.004188 | 0.00337(7) | ||||||||||||
| gr × 104 | −1.25(8) | −1.254 | −1.05(26) | −1.18(25) | −1.25(24) | –. f | –. f | −1.113 | −3.8(4) | ||||||||||||
Notes.
Christensen & Veseth (1978) for gs and gl and Evenson & Mizushima (1972) for gr.
This work. Best gs and gl obtained at the CCSD(T)/aug-cc-pCV5Z level augmented for the correction derived from the comparison between full and scaled CAS2 results; gr at the CCSD(T)/aug-cc-pCVQZ level. Best estimates also incorporate vibrational corrections; see text.
This work. Fit I: gs, gl, and gr fitted; Fit II: gl and gr fitted, gs kept fixed at the best computed value; Fit III: gs and gr fitted, gl kept fixed at the best computed value; Fit IV: gs and gl fitted, gr kept fixed at the best computed value; Fit V: gs fitted, gl and gr kept fixed at the best computed value.
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