Application of Multiple Scattering Theory to Materials Science: Volume 253W. H. Butler The MRS Symposium Proceeding series is an internationally recognised reference suitable for researchers and practitioners. |
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Page 186
... Seitz cell and for the potential and compare with full - potential results which do not make such approximations ... Wigner - Seitz cell is non - spherical and has a faceted cut - off structure . The Green's function G ( r + R " , r ' + ...
... Seitz cell and for the potential and compare with full - potential results which do not make such approximations ... Wigner - Seitz cell is non - spherical and has a faceted cut - off structure . The Green's function G ( r + R " , r ' + ...
Page 188
... cellular method is the description of the form of the cell . This problem also occurs for the potentials V " ( r ) which for Bravais lattices all have the same facetted cut - off structure as the Wigner - Seitz cell . For that we ...
... cellular method is the description of the form of the cell . This problem also occurs for the potentials V " ( r ) which for Bravais lattices all have the same facetted cut - off structure as the Wigner - Seitz cell . For that we ...
Page 189
... cellular integrals . In each cell we expand all relevant quantities , i.e. the charge density , the Coulomb potential , the exchange correlation density , into spherical harmonics . The integral over the Wigner - Seitz cells are ...
... cellular integrals . In each cell we expand all relevant quantities , i.e. the charge density , the Coulomb potential , the exchange correlation density , into spherical harmonics . The integral over the Wigner - Seitz cells are ...
Contents
TRANSFER OF CLASSICAL MULTIPLE SCATTERING THEORY | 3 |
EXPERIENCES WITH THE QUADRATIC KORRINGAKOHNROSTOKER | 27 |
THE MUFFINTINORBITAL POINT OF VIEW | 37 |
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Common terms and phrases
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 derived Dirac equation effects electronic structure expansion experimental Fermi energy field formalism full-potential G. M. Stocks given Gonis Green function Green's Gyorffy Hamiltonian impurity integral interactions interface KKR-CPA lattice layer Lett linear LMTO magnetic magnetic moment Materials Research Society matrix method muffin-tin multiple scattering theory multiple-scattering obtained orbital parameters perturbation phase Phys Physics plane polarization potential problem Proc properties relativistic scattering theory Schrödinger equation 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