When to trust photoelectron spectra from Kohn-Sham eigenvalues: The case of organic semiconductors

Density functional theory of transition metal phthalocyanines, I: electronic structure of NiPc and CoPc—self-interaction effects

(2008) Noa Marom et al.   APPLIED PHYSICS A-MATERIALS SCIENCE & PROCESSING

Density functional theory of transition metal phthalocyanines, II: electronic structure of MnPc and FePc—symmetry and symmetry breaking

(2008) Noa Marom et al.   APPLIED PHYSICS A-MATERIALS SCIENCE & PROCESSING

Self-interaction correction and the optimized effective potential

(2008) T. Körzdörfer et al.   JOURNAL OF CHEMICAL PHYSICS

Electronic structure of copper phthalocyanine: A comparative density functional theory study

(2008) Noa Marom et al.   JOURNAL OF CHEMICAL PHYSICS

Electronic relaxation effects in condensed polyacenes: A high-resolution photoemission study

(2008) M. L. M. Rocco et al.   JOURNAL OF CHEMICAL PHYSICS

Experimental and Theoretical Identification of Valence Energy Levels and Interface Dipole Trends for a Family of (Oligo)Phenylene-ethynylenethiols Adsorbed on Gold

(2008) Chad Risko et al.   Journal of Physical Chemistry C

Orientation-dependent ionization energies and interface dipoles in ordered molecular assemblies

(2008) Steffen Duhm et al.   NATURE MATERIALS

Photoelectron spectra from first principles: from the many-body to the single-particle picture

(2008) Michael Walter et al.   NEW JOURNAL OF PHYSICS

Electrical Response of Molecular Systems: The Power of Self-Interaction Corrected Kohn-Sham Theory

(2008) T. Körzdörfer et al.   PHYSICAL REVIEW LETTERS

Orbital-dependent density functionals: Theory and applications

(2008) Stephan Kümmel et al.   REVIEWS OF MODERN PHYSICS