Fully self-consistent GW calculations for molecules

Benchmarking GW against exact diagonalization for semiempirical models

(2010) K. Kaasbjerg et al.   PHYSICAL REVIEW B

Levels of self-consistency in the GW approximation

(2009) Adrian Stan et al.   JOURNAL OF CHEMICAL PHYSICS

GW approach to Anderson model out of equilibrium: Coulomb blockade and false hysteresis in theI−Vcharacteristics

(2009) Catalin D. Spataru et al.   PHYSICAL REVIEW B

Relevance of core-valence interaction for electronic structure calculations with exact exchange

(2009) E. Engel   PHYSICAL REVIEW B

Localized atomic basis set in the projector augmented wave method

(2009) A. H. Larsen et al.   PHYSICAL REVIEW B

Polarization-induced renormalization of molecular levels at metallic and semiconducting surfaces

(2009) J. M. Garcia-Lastra et al.   PHYSICAL REVIEW B

Controlling Polarization at Insulating Surfaces: Quasiparticle Calculations for Molecules Adsorbed on Insulator Films

(2009) Christoph Freysoldt et al.   PHYSICAL REVIEW LETTERS

Renormalization of Molecular Quasiparticle Levels at Metal-Molecule Interfaces: Trends across Binding Regimes

(2009) Kristian S. Thygesen et al.   PHYSICAL REVIEW LETTERS

Successes and Failures of Kadanoff-Baym Dynamics in Hubbard Nanoclusters

(2009) M. Puig von Friesen et al.   PHYSICAL REVIEW LETTERS

A many-body approach to quantum transport dynamics: Initial correlations and memory effects

(2008) P. Myöhänen et al.   EPL

Time-dependent density-functional theory in the projector augmented-wave method

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

Quasiatomic orbitals forab initiotight-binding analysis

(2008) Xiaofeng Qian et al.   PHYSICAL REVIEW B

ConservingGWscheme for nonequilibrium quantum transport in molecular contacts

(2008) Kristian S. Thygesen et al.   PHYSICAL REVIEW B

Impact of Exchange-Correlation Effects on theIVCharacteristics of a Molecular Junction

(2008) K. S. Thygesen   PHYSICAL REVIEW LETTERS

Ab InitioGWMany-Body Effects in Graphene

(2008) Paolo E. Trevisanutto et al.   PHYSICAL REVIEW LETTERS