Atomic Density Roundtrip

This page explores the effects of reciprocal-space cutoff
on the electron density or the charge density of an isolated atom.

form factors,         Å

Unit cell parameters:  Å    Å    Å    °    °    °

         

Atom density was placed on a … × … × … grid
(calculated at … points within a … Å radius),
FFT-ed to reciprocal space, cut at dmin =…Å,
and FFT-ed back to density.

The atom's random position on the grid
causes distances to grid nodes to vary each time.