Berechnung optoelektronischer Materialeigenschaften mit zeitabhängiger Dichtefunktionaltheorie

• Applicant: Professor Dr. Andreas Görling
• Subject Area: Theoretical Chemistry: Molecules, Materials, Surfaces ; Theoretical Chemistry: Electronic Structure, Dynamics, Simulation
• Term: from 2001 to 2010
• Project identifier: Deutsche Forschungsgemeinschaft (DFG) - Project number 5328348

• Final Report Year: 2010

Final Report Abstract

No abstract available

Publications

• Exact Kohn-Sham exchange kernel for insulators and its long-wavelength behavior Phys. Rev. B 66, 035144 (2002)
  Y.-H. Kim und A. Görling
  
• Excitonic optical spectrum of semiconductors by time-dependent density-functional theory with the exact-exchange kernel Phys. Rev. Lett. 89, 096402 (2002)
  Y.-H. Kim und A. Görling
  
• Optical excitations of Si by time-dependent density-functional theory based on the exact-exchange Kohn-Sham band structure Int. J. Quantum Chem. 91, 257 (2003)
  Y.-H. Kim und A. Görling
  
• Exact-exchange Kohn-Sham formalism applied to one-dimensional periodic electronic systems Phys. Rev. B, 74, 045119 (2006)
  S. Rohra, E. Engel und A. Görling
  
• Exact-Exchange Spin-Current Density-Functional Theory Phys. Rev. Lett., 97, 013005 (2006)
  S. Rohra und A. Görling
  
• Spin-orbit interactions and spin-currents from an exact exchange Kohn-Sham method
  S. Rohra, E. Engel und A. Görling