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absolute zero alkali halides alkali metals alloys approximation assumed atoms band Bloch functions boundary centers Chap charge distribution coefficient cohesive energy components computed conductivity constant coordinates copper corresponding coulomb cubic curve D. R. Hartree density derived determined discussed eigenfunctions equal equilibrium exchange terms exciton expressed fact Fermi energy ferromagnetic field Fock's equations free electrons frequency given Hamiltonian Hartree Hartree's Heitler-London Hence integral interaction interstitial ionic crystals ionization ions kg cal/mol lattice lithium lowest magnetic mean value method molecular molecules negative normal number of electrons obtained one-electron functions oxide phase Phys Physik positive potential quantity quantum quantum mechanics satisfy semi-conductors shown in Fig sodium chloride solid solutions specific heat spin surface symmetry Table temperature theory tion total number transition metals unit cell valence electrons vector velocity vibrational wave functions wave number zinc zone