Lehrstuhl für Theoretische Chemie

Stacking Energies for Average B-DNA Structures from the Combined Density Functional Theory and Symmetry-Adapted Perturbation Theory Approach (2008) Fiethen A, Jansen G, Heßelmann A, Schuetz M Journal article Static and Frequency-Dependent Dipole--Dipole Polarizabilities of All Closed-Shell Atoms up to Radium: A Four-Component Relativistic DFT Study (2008) Bast R, Heßelmann A, Salek P, Helgaker T, Saue T Journal article Relation between exchange-only optimized potential and Kohn-Sham methods with finite basis sets, and effect of linearly dependent products of orbital basis functions (2008) Görling A, Heßelmann A, Jones M, Levy M Journal article, Original article Comparison between optimized effective potential and Kohn-Sham methods (2008) Heßelmann A, Görling A Journal article, Original article Synthesis and photoinduced electron-transfer properties of phthalocyanine-[60]fullerene conjugates. (2008) Quintiliani M, Kahnt A, Wölfle T, Hieringer W, Vázquez P, Görling A, Guldi DM, Torres T Journal article, Original article Comparative study of the structures of copper, silver, and gold icosamers: Influence of metal type and charge state (2008) Lechtken A, Neiß C, Stairs J, Schooss D Journal article, Original article Modeling of the Diffusion and Activation of Arsenic in Silicon Including Clustering and Precipitation (2008) Martinez Limia A, Pichler P, Steen C, Paul S, Lerch W Conference contribution Comment on Quintuple-ζ quality coupled-cluster correlation energies with triple-ζ basis sets by D. P. Tew, W. Klopper, C. Neiss and C. Hättig, Phys. Chem. Chem. Phys., 2007, 9, 1921 [erratum] (2008) Tew DP, Klopper W, Neiß C, Haettig C Journal article, Note Multiconfiguration optimized effective potential method for a density-functional treatment of static correlation (2008) Weimer M, Della Sala F, Görling A Journal article, Original article Energetics of the all-trans -→ 13-cis isomerization of the retinal chromophore of bacteriorhodopsin: Electronic structure calculations for a simple model system (2008) Woywod C, Vallet V, Li J, Görling A Conference contribution, Conference Contribution