A3 Multiscale Modeling and Simulation

Random-phase approximation correlation methods for molecules and solids (2011) Heßelmann A, Görling A Journal article, Review article AM1* parameters for palladium and silver (2011) Kayi H, Clark T Journal article Vinyl spacers - Tuning electron transfer through fluorene-based molecular wires (2011) Wielopolski M, Santos J, Illescas BM, Ortiz A, Insuasty B, Bauer T, Clark T, et al. Journal article, Original article On the regioselectivity of the insertion step in nickel complex catalyzed dimerization of butene: A density-functional study (2011) Nikiforidis I, Görling A, Hieringer W Journal article, Original article Local exact exchange potentials within the all-electron FLAPW method and a comparison with pseudopotential results (2011) Betzinger M, Friedrich C, Bluegel S, Görling A Journal article, Original article Correct description of the bond dissociation limit without breaking spin symmetry by a random-phase-approximation correlation functional (2011) Heßelmann A, Görling A Journal article, Original article Efficient exact-exchange time-dependent density-functional theory methods and their relation to time-dependent Hartree-Fock (2011) Heßelmann A, Görling A Journal article, Original article Template-assisted formation of fullerenes from short-chain hydrocarbons by supported platinum nanoparticles (2011) Vines Solana F, Görling A Journal article, Original article Expression Templates Revisited: A Performance Analysis of the Current ET Methodology (2011) Iglberger K, Hager G, Eitzinger J, Rüde U Journal article Electron-vibron coupling in halogenated acenaphthenequinone upon O K-edge soft x-ray absorption (2011) Schmidt NA, Clark T, Urquhart SG, Fink R Journal article, Original article