## A tight binding calculation of the 1s band shape in metallic lithium |

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analytical fit APPENDIX approximate to order assumed atomic in character atomic units b.c.c. crystal band shape band theory band width Bedo Bohr radii calculated Callaway conjecture Cornell University crystal potential denoted depend on Jk dummy variable eigenfunction electron problem emission spectrum energy associated energy required evaluated exponent fit was obtained Fock folding operation given Hamiltonian Hartree-Fock scheme Hence high energy side hydrogen-like function instantaneous correlation integration and sum intensity distribution ion cores J. R. Reitz lattice constant leading term lithium ion Lowdin and Appel ls band ls functions ls orbital metallic lithium method minimizes the energy nearest neighbor distance normalizing constant orthogonal overlap parameter particle functions permutations perturb Petrashen Phys produced by electron quantum numbers respectively required to ionize satisfies 40 Schmidlin School of Cornell solid angle associated spin orbital spins is performed sum over spins terms which contribute Thesis tight binding tion Tomboulian wave function zero order