In this article, we set up a functional setting for mean-field electronic
structure models of Hartree-Fock or Kohn-Sham types for disordered crystals.
The electrons are quantum particles and the nuclei are classical point-like
articles whose positions and charges are random. We prove the existence of a
minimizer of the energy per unit volume and the uniqueness of the ground state
density of such disordered crystals, for the reduced Hartree-Fock model (rHF).
We consider both (short-range) Yukawa and (long-range) Coulomb interactions.
We provide {\it a priori} error estimates for the spectral and pseudospectral
Fourier (also called planewave) discretizations of the periodic
Thomas-Fermi-von Weizs\"acker (TFW) model and of the Kohn-Sham model, within
the local density approximation (LDA). These models allow to compute
approximations of the ground state energy and density of molecular systems in
the condensed phase. The TFW model is stricly convex with respect to the
electronic density, and allows for a comprehensive analysis (Part I).
We provide {\it a priori} error estimates for the spectral and pseudospectral
Fourier (also called planewave) discretizations of the periodic
Thomas-Fermi-von Weizs\"acker (TFW) model and of the Kohn-Sham model, within
the local density approximation (LDA). These models allow to compute
approximations of the ground state energy and density of molecular systems in
the condensed phase. The TFW model is stricly convex with respect to the
electronic density, and allows for a comprehensive analysis (Part I).