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Showing 1 to 2 of 2 for “"all-electron energy band calculation"”.
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Electronic Properties of Cuprous-Chloride and Cuprous-Bromide
The first self-consistent all-electron energy band calculation of cuprous chloride using ab initio Hartree-Fock theory with nonlocal exchange is presented. Both polarization and relaxation corrections are included, and the resulting band structure is compared with the available optical data. …
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Electronic properties of cuprous chloride and cuprous bromide
The first self-consistent all-electron energy band calculation of cuprous chloride using ab initio Hartree-Fock theory with nonlocal exchange is presented. Both polarization and relaxation corrections are included, and the resulting band structure is compared with the available optical data. …