Journal of Chemical Physics
Journal Abbreviation: J CHEM PHYS
ISSN: 0021-9606
eISSN: 1089-7690
Publisher: AIP Publishing
Publications (225)
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