Abstract
In a single- , nondegenerate- , band model, the electron density ρ(r) is the sum of the squares of the Wannier function of the band, summed over all lattice sites. X-ray scattering is then determined by the convolution of the momentum eigenfunction of the band, which is the Fourier transform of the Wannier function with itself. Invoking the one-body potential V(r) of density functional theory, a formally exact link is established between ρ(r) and V(r).
- Received 22 September 1987
DOI:https://doi.org/10.1103/PhysRevA.37.1361
©1988 American Physical Society