Relativistic study of parity-violating nuclear spin-rotation tensors
نویسندگان
چکیده
We present a four-component relativistic approach to describe the effects of nuclear spin-dependent parity-violating (PV) weak forces on spin-rotation (NSR) tensors. The formalism is derived within polarization propagator theory based Dirac–Coulomb Hamiltonian. Such calculations are important for planning and interpretation possible future experiments aimed at stringent tests standard model through observation PV in NSR spectroscopy. An exploratory application this chiral molecules H2X2 (X = 17O, 33S, 77Se, 125Te, 209Po) illustrates dramatic effect relativity these contributions. In particular, spin-free spin–orbit even opposite signs some dihedral angles, latter fully dominate heavier nuclei. Relativistic isotropic constants, including electroweak interactions, give frequency differences up 4.2 mHz between H2Po2 enantiomers; nonrelativistic level theory, energy difference 0.1 only.
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ژورنال
عنوان ژورنال: Journal of Chemical Physics
سال: 2021
ISSN: ['1520-9032', '1089-7690', '0021-9606']
DOI: https://doi.org/10.1063/5.0065487