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Sunny is not currently consistent about whether the dynamical correlations involve the angular momentum dipole, or the magnetic moment dipole. The difference becomes nontrivial when the $g$-tensor is not a scalar. Previously, the $g$-tensor was applied by default only in :dipole mode, and only when using the classical dynamics to estimate intensities. We should unify the behavior across all modes (:dipole and :SUN) and across all calculation paths (spin wave theory and classical dynamics). In all cases, the $g$-tensor should be applied by default, to make contact with the neutron scattering cross section. To get spin-spin correlations instead, there should remain the option apply_g = false in the construction of an intensity_formula.
The text was updated successfully, but these errors were encountered:
kbarros
changed the title
Apply $g$-tensor to spin dipoles before calculating dynamical correlations
Apply g-tensor to spin dipoles before calculating dynamical correlations
Feb 7, 2024
Add support for "inhomogeneous" observables. In particular, by default, the g-tensor will be applied in the calculation of spin-spin correlations. This is needed to make contact with neutron scattering cross sections.
FixesSunnySuite#236 and SunnySuite#232.
Sunny is not currently consistent about whether the dynamical correlations involve the angular momentum dipole, or the magnetic moment dipole. The difference becomes nontrivial when the$g$ -tensor is not a scalar. Previously, the $g$ -tensor was applied by default only in $g$ -tensor should be applied by default, to make contact with the neutron scattering cross section. To get spin-spin correlations instead, there should remain the option
:dipole
mode, and only when using the classical dynamics to estimate intensities. We should unify the behavior across all modes (:dipole
and:SUN
) and across all calculation paths (spin wave theory and classical dynamics). In all cases, theapply_g = false
in the construction of anintensity_formula
.The text was updated successfully, but these errors were encountered: