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1992 Materials Research alloys angular momentum anisotropy approach approximation atoms average basis functions Brillouin zone calculations charge density cluster coefficients composite computed configuration convergence crystal density functional theory dependence derived Dirac equation effects electronic structure equation expansion experimental Fermi energy field formalism full-potential G. M. Stocks given Gonis Green function Green's Hamiltonian harmonics impurity integral interactions interface KKR-CPA lattice lattice constant layer Lett linear LMTO magnetic Materials Research Society matrix method mode muffin-tin multiple scattering theory multiple-scattering obtained orbital parameters perturbation phase Phys plane polarization potential problem Proc properties radial relativistic representation scattering theory self-consistent solid solid harmonic solution solved spectra sphere spherical spherical harmonics spin spin-polarized structure constants supercell surface symmetry Symp t-matrix temperature theoretical total energy transition metals truncated unit cell valence variational vector wave function wavefunction Wigner-Seitz cell
Phys. Rev. B 51, 7279 (1995): Jenkins and Strange - Electronic ...