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Hyperfine and Quadrupole Coupling Constants. Zeeman Parameters

1 Hyperfine and Quadrupole Coupling Constants. Zeeman Parameters [Pg.40]

QCISD(T) = quadratic Cl including single, double, and triple excitations, UCCD(ST) = coupled-cluster doubles method based on the unrestricted Hartree-Fock method and corrected for single and triple replacements, MC SCF = multiconfiguration SCF, MRD Cl = multireference singles and doubles Cl, MBPT= many-body perturbation theory, SD Cl = singles and doubles Cl. [Pg.41]




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Constant parameters

Coupling parameter

Hyperfine constant

Hyperfine coupling

Hyperfine coupling constants

Hyperfine parameters

Quadrupole coupling

Zeeman

Zeeman coupling

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