Lehrstuhl für Theoretische Chemie

Excitation energies of terthiophene and its dioxide derivative: A first-principles study (2001) Della Sala F, Heinze H, Görling A Journal article, Original article On the band gap in peptide alpha-helices (2000) Herz T, Otto P, Clark T Journal article Adiabatic perturbation theory for Van der Waals coefficients (2000) Görling A, Heinze H, Levy M Journal article, Original article Excitation energies of dissociating H2: A problematic case for the adiabatic approximation of time-dependent density functional theory (2000) Gritsenko O, Van Gisbergen S, Görling A, Baerends EJ Journal article, Original article Proper treatment of symmetries and excited states in a computationally tractable Kohn-Sham method (2000) Görling A Journal article, Original article Norm-conserving pseudopotentials in the exact-exchange Kohn-Sham formalism (2000) Moukara M, Städele M, Majewski J, Vogl P, Görling A Journal article, Original article Exact-exchange-based quasiparticle calculations (2000) Aulbur W, Städele M, Görling A Journal article, Original article Efficient method for calculating molecular excitation energies by time-dependent density-functional theory (2000) Heinze H, Görling A, Rösch N Journal article, Original article A Critical Assessment of Density Functional Theory with Regard to Application in Organometallic Chemistry (1999) Görling A, Trickey SB, Gisdakis P, Rösch N Journal article New KS method for molecules based on an exchange charge density generating the exact local KS exchange potential (1999) Görling A Journal article, Original article