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• W2017255767 abstract "A procedure to obtain single-electron wavefunctions within the tight-binding formalism is proposed. It is based on linear combinations of Slater-type orbitals whose screening coefficients are extracted from the optical matrix elements of the tight-binding Hamiltonian. Bloch functions obtained for zinc-blende semiconductors in the extended-basis spds* tight-binding model demonstrate very good agreement with first-principles wavefunctions. We apply this method to the calculation of electron-hole exchange interaction, and obtain the dispersion of excitonic fine structure of bulk GaAs. Beyond semiconductor nanostructures, this work is a fundamental step toward modeling many-body effects from post-processing single particle wavefunctions within the tight-binding theory." @default.
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• W2017255767 date "2015-01-15" @default.
• W2017255767 modified "2023-10-17" @default.
• W2017255767 title "Microscopic electronic wave function and interactions between quasiparticles in empirical tight-binding theory" @default.
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• W2017255767 doi "https://doi.org/10.1103/physrevb.91.045118" @default.
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