## Foundations of one-electron theory of solids |

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additive screening alloys approximation atomic average band energy band structure behavior boundary conditions Brillouin zone calculations charge coefficients components considered contribution core corresponding Coulomb crystal potential determined dielectric screening discussed dispersion law effective medium electron gas empty lattice energy dependence exchange potential expression Fermi sphere Fermi surface formfactor free-electron Friedel oscillations Friedel sum Green's function Hartree-Fock integral interaction interatomic KKRZ KKRZ formfactor LCAO levels logarithmic derivative matrix elements MT potential MT sphere NFE model nonlocal Note obtain optimization OPW formfactor orbitals oscillations parameters perturbation theory phase shift phonon Phys plane wave pseudo pseudoatom pseudopotential theory radius reciprocal lattice vectors region repulsion resonance scattering theory Schrodinger equation screening potential secular equation self-consistent short-range order singularity solutions spherical structure factor temperature tential theorem tial tion total energy transition metals valency wave function Wigner-Seitz cell zero