On a fast calculation of structure factors at a subatomic resolution.

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Towards automated crystallographic structure refinement with phenix.refine (2012, methodology): “The structure factors from the atomic model, Fcalc, are computed using either fast Fourier transformation (FFT) or direct-summation algorithms (for a review, see Afonine & Urzhumtsev, 2004).”
Programming new geometry restraints: parallelity of atomic groups (2015, background): “…of its phase distribution, a density target depends on the density values in a few grid points around a particular atom (see, for example, Afonine & Urzhumtsev, 2004, and references therein), a geometric restraint depends on the coordinates of a few atoms involved in particular…”
FEM: feature-enhanced map (2014, methodology): “…five curves: blue is the exact electrondensity distribution calculated using the Gaussian approximation formula [see, for example, formula 12 in Afonine & Urzhumtsev (2004) implemented as described in GrosseKunstleve et al. (2004)] and red is for its Fourier image calculated at 1.5 Å…”