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. |
From inside the book
Results 1-3 of 86
Page 94
... solution and the outside solution for the truncated wave function and its derivative , and columns . and list the same quantities for the augmented wave function . a Imax Δι Δύ 0 0.1697 0.1738 Δια 1.789 x 10-16 ΔΥ 2.358 × 10-16 1 0.1030 ...
... solution and the outside solution for the truncated wave function and its derivative , and columns . and list the same quantities for the augmented wave function . a Imax Δι Δύ 0 0.1697 0.1738 Δια 1.789 x 10-16 ΔΥ 2.358 × 10-16 1 0.1030 ...
Page 183
... solution to the TISE for a potential that is regular and spherically symmetric near the origin is proportional to r'YL ( F ) , or equivalently to J ( r ) . Knowing the coefficients CL ( 0 ) is therefore equivalent to knowing the partial ...
... solution to the TISE for a potential that is regular and spherically symmetric near the origin is proportional to r'YL ( F ) , or equivalently to J ( r ) . Knowing the coefficients CL ( 0 ) is therefore equivalent to knowing the partial ...
Page 205
... solution that gives the approximate solution . Each approach has advantages and disadvantages . The primary advantage of the usual approach of using fixed basis functions in the Rayleigh - Ritz procedure is that one can obtain a secular ...
... solution that gives the approximate solution . Each approach has advantages and disadvantages . The primary advantage of the usual approach of using fixed basis functions in the Rayleigh - Ritz procedure is that one can obtain a secular ...
Contents
TRANSFER OF CLASSICAL MULTIPLE SCATTERING THEORY | 3 |
EXPERIENCES WITH THE QUADRATIC KORRINGAKOHNROSTOKER | 27 |
THE MUFFINTINORBITAL POINT OF VIEW | 37 |
Copyright | |
47 other sections not shown
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