Multi-orbital non-crossing approximation from maximally localized Wannier functions: the Kondo signature of copper phthalocyanine on Ag(100)

General DFT + + method implemented with projector augmented waves: electronic structure of SrVO3and the Mott transition in Ca2 −xSrxRuO4

(2011) M Karolak et al.   JOURNAL OF PHYSICS-CONDENSED MATTER

Observation and electric current control of a local spin in a single-molecule magnet

(2011) Tadahiro Komeda et al.   Nature Communications

Band selection and disentanglement using maximally localized Wannier functions: the cases of Co impurities in bulk copper and the Cu(111) surface

(2010) Richard Korytár et al.   JOURNAL OF PHYSICS-CONDENSED MATTER

Quenching of magnetic excitations in single adsorbates at surfaces: Mn on CuN/Cu(100)

(2010) Frederico D. Novaes et al.   PHYSICAL REVIEW B

Magnetic transitions induced by tunneling electrons in individual adsorbedM-phthalocyanine molecules (M=Feand Co)

(2010) Jean-Pierre Gauyacq et al.   PHYSICAL REVIEW B

Orbital selective and tunable Kondo effect of magnetic adatoms on graphene: Correlated electronic structure calculations

(2010) D. Jacob et al.   PHYSICAL REVIEW B

Phase diagram and gap anisotropy in iron-pnictide superconductors

(2010) Hiroaki Ikeda et al.   PHYSICAL REVIEW B

Two-Orbital Model Explains the Higher Transition Temperature of the Single-Layer Hg-Cuprate Superconductor Compared to That of the La-Cuprate Superconductor

(2010) Hirofumi Sakakibara et al.   PHYSICAL REVIEW LETTERS

Spatially Extended Kondo State in Magnetic Molecules Induced by Interfacial Charge Transfer

(2010) U. G. E. Perera et al.   PHYSICAL REVIEW LETTERS

Orbital Specific Chirality and Homochiral Self-Assembly of Achiral Molecules Induced by Charge Transfer and Spontaneous Symmetry Breaking

(2010) A. Mugarza et al.   PHYSICAL REVIEW LETTERS

Nonequilibrium dynamics of a singlet–triplet Anderson impurity near the quantum phase transition

(2009) P Roura Bas et al.   JOURNAL OF PHYSICS-CONDENSED MATTER

Many-body electronic structure and Kondo properties of cobalt-porphyrin molecules

(2009) Luis G. G. V. Dias da Silva et al.   PHYSICAL REVIEW B

Relevance of the complete Coulomb interaction matrix for the Kondo problem: Co impurities in Cu hosts

(2009) E. Gorelov et al.   PHYSICAL REVIEW B

Optimal strictly localized basis sets for noble metal surfaces

(2009) Sandra García-Gil et al.   PHYSICAL REVIEW B

Nonequilibrium transport through a singlet-triplet Anderson impurity

(2009) P. Roura Bas et al.   PHYSICAL REVIEW B

Maximally localized Wannier functions for GW quasiparticles

(2009) D. R. Hamann et al.   PHYSICAL REVIEW B

Efficient Spin Transitions in Inelastic Electron Tunneling Spectroscopy

(2009) Nicolás Lorente et al.   PHYSICAL REVIEW LETTERS

Tuning Molecule-Mediated Spin Coupling in Bottom-Up-Fabricated Vanadium-Tetracyanoethylene Nanostructures

(2009) Daniel Wegner et al.   PHYSICAL REVIEW LETTERS

Quantum phase transition in a single-molecule quantum dot

(2008) Nicolas Roch et al.   NATURE

Plane-wave based electronic structure calculations for correlated materials using dynamical mean-field theory and projected local orbitals

(2008) B. Amadon et al.   PHYSICAL REVIEW B

Electronic Energy Levels of Weakly Coupled Nanostructures:C60-Metal Interfaces

(2008) Jay D. Sau et al.   PHYSICAL REVIEW LETTERS

Controlling the Kondo Effect inCoCunClusters Atom by Atom

(2008) N. Néel et al.   PHYSICAL REVIEW LETTERS

Vibrational Kondo Effect in Pure Organic Charge-Transfer Assemblies

(2008) I. Fernández-Torrente et al.   PHYSICAL REVIEW LETTERS

wannier90: A tool for obtaining maximally-localised Wannier functions

(2007) Arash A. Mostofi et al.   COMPUTER PHYSICS COMMUNICATIONS