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Energy Bands in Iron 2 2
Spinor Waves in a Crystal 3 0
25 other sections not shown
3d electrons 3d functions A. J. Freeman approximation basis functions Block Operator cappa charge density coefficients configuration interaction coordinates crystal crystal field theory crystalline field cubic field cubic group determinant effect energy bands experimental F 3d fortran free atom free ion G. F. Koster Hamiltonian matrix Hartree Hartree-Fock Hartree-Fock calculations Hartree-Fock equations integrals ionization iron series irreducible representation J. C. Slater lattice linear M. P. Barnett MAGNETIC FORM FACTORS matrix elements Mattheiss method Mn++ Molecular Theory Group multiplet neutron normalized obtained one-electron energies orbitals orthogonal parameters Phys plane waves point charge potential problem procedure Quarterly Progress Report R. E. Watson radial functions restricted Hartree-Fock Roothaan scattering factors secular equation self-consistent shell Slater determinants Solid-State and Molecular solutions spectra spherical spin polarized subroutines symmetry Table Technical Report tion total energy transformation values wave functions