Journal of Chemical Physics

Journal Abbreviation: J CHEM PHYS
ISSN: 0021-9606
eISSN: 1089-7690
Publisher: AIP Publishing

Publications (242)

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Unpublished / Preprint

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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 The transition from oxygen chemisorption to oxidation of ultra-thin Ni layers on Cu(111) (2001) Domnick R, Held G, Witte P, Steinrück HP Journal article, Original article A fast x-ray photoelectron spectroscopy study of the adsorption and temperature-dependent decomposition of propene on Ni(100) (2001) Whelan C, Neubauer R, Borgmann D, Denecke R, Steinrück HP Journal article Collision-induced desorption of hydrocarbons physisorbed on Au(111) (2000) Libuda J Journal 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 Efficient method for calculating molecular excitation energies by time-dependent density-functional theory (2000) Heinze H, Görling A, Rösch N Journal article, Original article Density- and density-matrix-based coupled Kohn-Sham methods for dynamic polarizabilities and excitation energies of molecules (1999) Görling A, Heinze H, Ruzankin SP, Staufer M, Rösch N Journal article, Original article CO dissociation characteristics on size-distributed rhodium islands on alumina model substrates (1998) Libuda J Journal article Closed-form expression relating the second-order component of the density functional theory correlation energy to its functional derivative (1998) Ivanov S, Lopez-Boada R, Görling A, Levy M Journal article, Original article Electronic structure of benzene adsorbed on single-domain Si(001)-(2 × 1): A combined experimental and theoretical study (1998) Gokhale S, Trischberger P, Menzel D, Widdra W, Dröge H, Steinrück HP, Birkenheuer U, et al. Journal article, Original article