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Communication: Nuclear quadrupole moment-induced Cotton-Mouton effect in noble gas atoms
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See supplementary material at http://dx.doi.org/10.1063/1.4830094
for the details and discussion of the computations, the NQM-induced CM constants with various basis sets and electron correlation treatments, and different contributions to Rel NQM-induced CM constant. [Supplementary Material]
40.Estimated by using our calculated DHF datum at 405.0 nm, density ρXe = 3.100 × 103 kg m−3,41 and PXe = 2.2%.22
41. E. Aprile, A. E. Bolotnikov, A. I. Bolozdynya, and T. Doke, Noble Gas Detectors (Wiley-VCH, Weinheim, 2006).
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New, high-sensitivity and high-resolution spectroscopic and imaging methods may be developed by exploiting nuclear magneto-optic effects. A first-principles electronic structure formulation of nuclear electric quadrupole moment-induced Cotton-Mouton effect (NQCME) is presented for closed-shell atoms. In NQCME, aligned quadrupole moments alter the index of refraction of the medium along with and perpendicular to the direction of nuclear alignment. The roles of basis-set convergence, electron correlation, and relativistic effects are investigated for three quadrupolar noble gas isotopes: 21Ne, 83Kr, and 131Xe. The magnitude of the resulting ellipticities is predicted to be 10−4–10−6 rad/(M cm) for fully spin-polarized nuclei. These should be detectable in the Voigt setup. Particularly interesting is the case of 131Xe, in which a high degree of spin polarization can be achieved via spin-exchange optical hyperpolarization.
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