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Showing 1 to 3 of 3 for “"energy band theory"”.
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Electronic band structures for normal and high pressure phases of II-VI compounds
Submitted by Carolyn Mead (cmead2@illinois.edu) on 2011-06-16T14:51:46Z No. of bitstreams: 1 1982_boettger.pdf: 4204271 bytes, checksum: dee343abaff59524a746e9ec4a9a6855 (MD5)
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All-electron GW calculations for perovskite transition metal oxides
… investigations are based on density functional theory (DFT), the most successful theory for the description of ground-state electronic properties from first-principles in combination with the GW approximation (GWA) from many-body perturbation theory which has emerged as the method of choice to …