Kim YH, Städele M, Görling A (2003)
Publication Type: Journal article, Original article
Publication year: 2003
Original Authors: Kim Y.-H., Städele M., Görling A.
Publisher: Wiley-Blackwell
Book Volume: 91
Pages Range: 257-262
DOI: 10.1002/qua.10411
We calculate the imaginary part of the frequency-dependent dielectric function of bulk silicon by applying time-dependent density functional theory (TDDFT) based on the exact-exchange (EXX) Kohn-Sham (KS) band structure and the adiabatic local-density approximation (ALDA) kernel. The position of the E absorption peak calculated with the EXX band structure at the independent-particle level is in excellent agreement with experiments, which demonstrate the good quality of EXX "KS quasiparticles." The excitonic E peak that is missing at the independent-particle level remains absent if two-particle interaction effects are taken into account within the ALDA to TDDFT, demonstrating the incapability of the ALDA kernel to describe excitonic effects. © 2002 Wiley Periodicals, Inc. Int. J. Quantum Chem.
APA:
Kim, Y.-H., Städele, M., & Görling, A. (2003). Optical excitations of Si by time-dependent density functional theory based on exact-exchange Kohn-Sham band structure. International Journal of Quantum Chemistry, 91, 257-262. https://doi.org/10.1002/qua.10411
MLA:
Kim, Y.-H., Martin Städele, and Andreas Görling. "Optical excitations of Si by time-dependent density functional theory based on exact-exchange Kohn-Sham band structure." International Journal of Quantum Chemistry 91 (2003): 257-262.
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