New density-functional methods for the treatment of excited states and for the description of static correlation

• Applicant: Professor Dr. Andreas Görling
• Subject Area: Theoretical Chemistry: Electronic Structure, Dynamics, Simulation
• Term: from 2001 to 2009
• Project identifier: Deutsche Forschungsgemeinschaft (DFG) - Project number 5298572

• Final Report Year: 2009

Final Report Abstract

No abstract available

Publications

• Open-shell Localized Hartree-Fock approach for an efficient effective exact-exchange Kohn-Sham treatment of open-shell atoms and molecules. J. Chem. Phys. 118, 10439 (2003)
  F. Della Sala und A. Görling
  
• Open-shell localized Hartree-Fock method based on the generalized adiabatic connection Kohn-Sham formalism for a self-consistent treatment of excited states. J. Chem. Phys. 122, 244102 (2005)
  V. Vitale, F. Della Sala und A. Görling
  
• Orbital- and state-dependent functionals in density-func tional theory. J. Chem. Phys. 123, 062203 (2005)
  A. Görling
  
• Rydberg states with quantum Monte Carlo. J. Chem. Phys. 124, 114114 (2006)
  A. Bande, A. Lüchow, F. Della Sala und A. Görling
  
• Multiconfiguration optimized effective potential method for a density-functional treatment of static correlation. J. Chem. Phys. 128, 144109 (2008)
  M. Weimer, F. Della Sala und A. Görling