On the crystal ground state in the Schrödinger-Poisson model with point ions (Q325554)

The paper addresses the three-dimensional model of a crystal state, derived in the spirit of the Born-Oppenheimer approximation. The model includes the Schrödinger equation for light electrons, classical equations of motion for heavy point-like ions, and the Poisson equation for the electrostatic field. The formulation of the system requires regularization of the singularity of the Coulomb self-interaction. A ground state of the coupled system, in the form of an ionic lattice, is produced by minimization of the total energy per lattice unit. The unit is necessarily electrically neutral. The ground-state energy is demonstrated to be bounded from below, provided that all ions carry positive charges.