Screened Coulomb interactions of localized electrons in transition metals and transition-metal oxides

Screened Coulomb interaction of localized electrons in solids from first principles

(2012) Bi-Ching Shih et al.   PHYSICAL REVIEW B

BerkeleyGW: A massively parallel computer package for the calculation of the quasiparticle and optical properties of materials and nanostructures

(2011) Jack Deslippe et al.   COMPUTER PHYSICS COMMUNICATIONS

Interplay between electronic correlations and coherent structural dynamics during the monoclinic insulator-to-rutile metal phase transition in VO2

(2011) H Dachraoui et al.   JOURNAL OF PHYSICS-CONDENSED MATTER

Competition between instabilities of Peierls transition and Mott transition in W-doped VO2thin films

(2011) Enju Sakai et al.   PHYSICAL REVIEW B

Effective Coulomb interaction in transition metals from constrained random-phase approximation

(2011) Ersoy Şaşıoğlu et al.   PHYSICAL REVIEW B

VO2: A Novel View from Band Theory

(2011) V. Eyert   PHYSICAL REVIEW LETTERS

Realistic many-body models for manganese monoxide under pressure

(2010) Jan M. Tomczak et al.   PHYSICAL REVIEW B

Method for calculating the electronic structure of correlated materials from a truly first-principlesLDA+Uscheme

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

LSDA+Umethod: A calculation of theUvalues at the Hartree-Fock level of approximation

(2010) Antonis N. Andriotis et al.   PHYSICAL REVIEW B

Self-consistentGWdetermination of the interaction strength: Application to the iron arsenide superconductors

(2010) A. Kutepov et al.   PHYSICAL REVIEW B

First-principles modeling of localizeddstates with theGW@LDA+Uapproach

(2010) Hong Jiang et al.   PHYSICAL REVIEW B

Wannier-function approach to spin excitations in solids

(2010) Ersoy Şaşıoğlu et al.   PHYSICAL REVIEW B

Ab initioprocedure for constructing effective models of correlated materials with entangled band structure

(2009) Takashi Miyake et al.   PHYSICAL REVIEW B

Rotationally invariant ab initio evaluation of Coulomb and exchange parameters for DFT+U calculations

(2008) Nicholas J. Mosey et al.   JOURNAL OF CHEMICAL PHYSICS

Hybrid functionals applied to extended systems

(2008) M Marsman et al.   JOURNAL OF PHYSICS-CONDENSED MATTER

Screened Coulomb interaction in the maximally localized Wannier basis

(2008) Takashi Miyake et al.   PHYSICAL REVIEW B

First-principles study of correlation effects inVO2

(2008) R. Sakuma et al.   PHYSICAL REVIEW B

Effective bandstructure in the insulating phase versus strong dynamical correlations in metallicVO2

(2008) Jan M. Tomczak et al.   PHYSICAL REVIEW B

wannier90: A tool for obtaining maximally-localised Wannier functions

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