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Quarterly Progress Report No 1 July 15 1951
An Example of Impurity Levels in Solids
Energy Bands in Copper
54 other sections not shown
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antiferromagnetic AO's approximation atomic orbitals augmented plane wave basis functions binding energy Bloch bond Brillouin zone calculation carbon Chem coefficients computed configuration interaction constant corresponding Coulomb crystal curves detor diagonal effect electrons energy bands evaluation exchange integrals expansion F. J. Corbato func G. F. Koster given Hamiltonian Hartree Hartree-Fock hydrogen internuclear distance J. C. Slater lattice LCAO linear combinations lithium lithium hydride Lowdin matrix elements molecular orbital Molecular Theory Group molecule neighbor obtained occupied orbitals one-center one-electron energies operator orthogonal orthonormal parameters perturbation Phys plane wave plane wave method polar polaron potential problem procedure Quarterly Progress Report R. K. Nesbet Roothaan secular equation self-consistent single determinant singlet Solid-State and Molecular solution spherical harmonics spin structure symmetry Technical Report tion transformation valence valence-bond method Wannier functions wave function Whirlwind Whirlwind computer zero