2009/02/28 by V. Turkowski, Volodymyr Turkowski, C. A. Ullrich +2 · 1 citation
Chemistry · Engineering · Physics and Astronomy · #Advanced Chemical Physics Studies #Atomic physics #Binding energy #Chemical physics #Chemistry #Condensed matter physics #Density functional theory #Exciton #Materials science #Molecular Junctions and Nanostructures #Physics #Quantum mechanics #Spectroscopy and Quantum Chemical Studies #Time-dependent density functional theory #cond-mat.mtrl-sci #cond-mat.other
paper · pdf · doi:10.1103/physrevb.79.233201
4 pages, 1 figure
arxiv created 2009/02/28 · openalex publication_date 2009/06/10 · arxiv updated 2015/05/12 · openalex created_date 2025/10/10 · openalex updated_date 2026/08/05
Optical processes in insulators and semiconductors, including excitonic effects, can be described in principle exactly using time-dependent density-functional theory (TDDFT). Starting from a linearization of the TDDFT semiconductor Bloch equations in a two-band model, we derive a simple formalism for calculating exciton binding energies. This formalism leads to a generalization of the standard Wannier equation for excitons, featuring a nonlocal effective electron-hole interaction determined by long-range and dynamical exchange-correlation (XC) effects. We calculate exciton binding energies in several direct-gap semiconductors using exchange-only and model XC kernels.