Lehrstuhl für Theoretische Chemie

Charge-transfer excitation energies with a time-dependent density-functional method suitable for orbital-dependent exchange-correlation kernels (2009) Heßelmann A, Ipatov A, Görling A Journal article, Original article Formation of the calcium/poly(3-hexylthiophene) interface: Structure and energetics (2009) Zhu J, Bebensee F, Hieringer W, Zhao W, Baricuatro JH, Farmer JA, Bai Y, et al. Journal article Chemical fingerprints of large organic molecules in scanning tunneling microscopy: Imaging adsorbate-substrate coupling of metalloporphyrins (2009) Buchner F, Warnick KG, Wölfle T, Görling A, Steinrück HP, Hieringer W, Marbach H Journal article, Original article COLL 106-Surface chemistry with metalloporphyrins and metallophthalocyanines: Formation, structure, and reactivity (2008) Bai Y, Flechtner K, Marbach H, Buchner F, Hieringer W, Görling A, Shubina T, et al. Journal article Improved supermolecular second order Mo̸ller-Plesset intermolecular interaction energies using time-dependent density functional response theory (2008) Heßelmann A Journal article 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