Fig. 2: Axis distribution moments and ensemble anisotropy. | Communications Physics

Fig. 2: Axis distribution moments and ensemble anisotropy.

From: Applying Bayesian inference and deterministic anisotropy to retrieve the molecular structure ∣Ψ(R)∣2 distribution from gas-phase diffraction experiments

Fig. 2

The Axis distribution moments (ADMs) encapsulate the ensemble anisotropy which provides various constraints on the molecular frame as a function of time. The ADMs are parameterized by the three angular momentum quantum numbers l, m, and k which correspond to the total angular momentum, the projection along the lab frame \((\hat{{{{{{{{\bf{z}}}}}}}}})\) axis, and projection along the molecular frame \((\hat{{{{{{{{\bf{z}}}}}}}}})\) axis respectively. a We show the square norms of the ADMs and (b, c) highlight the time dependence of these normalized ADMs. d, e We show the time-dependent ensemble anisotropy probability distributions for \({\theta }_{{{{{{{{\rm{I}}}}}}}}}^{({{{{{{{\rm{lf}}}}}}}})}\) and \({\chi }_{{{{{{{{\rm{I}}}}}}}}}^{({{{{{{{\rm{lf}}}}}}}})}\), respectively. f, g We show illustrative line-outs of these Euler angle distributions for \({\theta }_{{{{{{{{\rm{I}}}}}}}}}^{({{{{{{{\rm{lf}}}}}}}})}\) and \({\chi }_{{{{{{{{\rm{I}}}}}}}}}^{({{{{{{{\rm{lf}}}}}}}})}\), respectively, with isotropy indicated by the dashed lines.

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