Lehrstuhl für Theoretische Chemie

Asymptotic behavior of the kohn-sham exchange potential (2002) Della Sala F, Görling A Journal article, Original article The asymptotic region of the Kohn-Sham exchange potential in molecules (2002) Della Sala F, Görling A Journal article, Original article Orbitals from a self-interaction free Kohn-Sham potential as a single electron basis for ab initio methods (2002) Hupp T, Engels B, Della Sala F, Görling A Journal article, Original article Excitonic optical spectrum of semiconductors obtained by time-dependent density-functional theory with the exact-exchange kernel (2002) Kim YH, Görling A Journal article, Original article Exact Kohn-Sham exchange kernel for insulators and its long-wavelength behavior (2002) Kim YH, Görling A Journal article, Original article [Ru(HNO)('py^bu^S_4_')], the first HNO complex resulting from hydride addition to a NO Complex ('py^bu^S_4_^'2-^ = 2,6-Bis(2-mercapto-3,5-di-tert-butylphenylthio)dimethylpyridine(2-)) (2001) Sellmann D, Gottschalk-Gaudig T, Häußinger D, Heinemann FW, Heß BA Journal article Synthesis, reactivity, and structure of strictly homologous 18 and 19 valence electron iron nitrosyl complexes. (2001) Sellmann D, Heinemann FW, Heß BA Journal article Efficient localized Hartree-Fock methods as effective exact-exchange Kohn-Sham methods for molecules (2001) Della Sala F, Görling A Journal article, Original article The role of exchange and correlation in time-dependent density-functional theory for photoionization (2001) Stener M, Decleva P, Görling A Journal article, Original article Transition Metal Complexes with Sulfur Ligands. Part 147. Synthesis, reactivity and structure of strictly homologous 18 and 19 valence electron iron nitrosyl complexes (2001) Sellmann D, Blum N, Heinemann FW, Heß BA Journal article