Journal of Chemical Physics

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

Publications (225)

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Abstract

Open-shell localized Hartree-Fock method based on the generalized adiabatic connection Kohn-Sham formalism for a self-consistent treatment of excited states (2005) Vitale V, Della Sala F, Görling A Journal article, Original article Kinetics of the CO oxidation reaction on Pt(111) studied by in situ high-resolution x-ray photoelectron spectroscopy (2004) Kinne M, Fuhrmann T, Zhu J, Whelan C, Denecke R, Steinrück HP Journal article The effects of oxygenation on the optical properties of dimethyl-dithienothiophenes: Comparison between experiments and first-principles calculations (2004) Reganato M, Vitale V, Della Sala F, Anni M, Cingolani R, Gigli G, Favaretto L, et al. Journal article, Original article Open-shell localized Hartree-Fock approach for an efficient effective exact-exchange Kohn-Sham treatment of open-shell atoms and molecules (2003) Della Sala F, Görling A Journal article, Original article Advantages and limitations of Kohn-Sham orbitals as single electron basis for multireference configuration interaction and multireference perturbation theory (2003) Hupp T, Engels B, Görling A Journal article, Original article The thermal chemistry of saturated layers of acetylene and ethylene on Ni(100) studied by in situ synchrotron x-ray photoelectron spectroscopy (2003) Neubauer R, Whelan C, Denecke R, Steinrück HP Journal article Nature of the interaction of paramagnetic atoms (A=N-4,P-4,O-3,S-3) with pi systems and C-60: A theoretical investigation of A center dot center dot center dot C6H6 and endohedral fullerenes A@C-60 (2002) Clark T Journal article Magneto-chiral anisotropy in charge transport through single-walled carbon nanotubes (2002) Krstic V, Roth S, Burghard M, Kern K, Rikken GL Journal article, Original article Efficient methods to calculate dynamic hyperpolarizability tensors by time-dependent density-functional theory (2002) Heinze H, 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