Derivation of static low-energy effective models by anab initiodownfolding method without double counting of Coulomb correlations: Application to SrVO3, FeSe, and FeTe

Effects of momentum-dependent self-energy in the electronic structure of correlated materials

(2013) T. Miyake et al.   PHYSICAL REVIEW B

Consistent LDA’ + DMFT—an unambiguous way to avoid double counting problem: NiO test

(2012) I. A. Nekrasov et al.   JETP LETTERS

Mott Transition and Phase Diagram of κ-(BEDT-TTF)2Cu(NCS)2Studied by Two-Dimensional Model Derived fromAb initioMethod

(2012) Hiroshi Shinaoka et al.   JOURNAL OF THE PHYSICAL SOCIETY OF JAPAN

Ab initioLow-Energy Model of Transition-Metal-Oxide Heterostructure LaAlO3/SrTiO3

(2012) Motoaki Hirayama et al.   JOURNAL OF THE PHYSICAL SOCIETY OF JAPAN

A fungal ketoreductase domain that displays substrate-dependent stereospecificity

(2012) Hui Zhou et al.   Nature Chemical Biology

Effective interactions in multiband systems from constrained summations

(2012) Carsten Honerkamp   PHYSICAL REVIEW B

Covalency, double-counting, and the metal-insulator phase diagram in transition metal oxides

(2012) Xin Wang et al.   PHYSICAL REVIEW B

LDA+DMFT study of the effects of correlation in LiFeAs

(2012) Johannes Ferber et al.   PHYSICAL REVIEW B

Ab initioderivation of electronic low-energy models for C60and aromatic compounds

(2012) Yusuke Nomura et al.   PHYSICAL REVIEW B

Temperature dependence of structural and electronic properties of the spin-liquid candidateκ-(BEDT-TTF)2Cu2(CN)3

(2012) Harald O. Jeschke et al.   PHYSICAL REVIEW B

Dynamical screening effects in correlated materials: Plasmon satellites and spectral weight transfers from a Green's function ansatz to extended dynamical mean field theory

(2012) Michele Casula et al.   PHYSICAL REVIEW B

Vanadium Dioxide: A Peierls-Mott Insulator Stable against Disorder

(2012) Cédric Weber et al.   PHYSICAL REVIEW LETTERS

Many-Body Effects in Iron Pnictides and Chalcogenides: Nonlocal Versus Dynamic Origin of Effective Masses

(2012) Jan M. Tomczak et al.   PHYSICAL REVIEW LETTERS

Ab InitioEvidence for Strong Correlation Associated with Mott Proximity in Iron-Based Superconductors

(2012) Takahiro Misawa et al.   PHYSICAL REVIEW LETTERS

Low-Energy Models for Correlated Materials: Bandwidth Renormalization from Coulombic Screening

(2012) M. Casula et al.   PHYSICAL REVIEW LETTERS

Functional renormalization group approach to correlated fermion systems

(2012) Walter Metzner et al.   REVIEWS OF MODERN PHYSICS

Ab initioDerivation of Correlated Superatom Model for Potassium Loaded Zeolite A

(2011) Yoshiro Nohara et al.   JOURNAL OF THE PHYSICAL SOCIETY OF JAPAN

Magnetic Properties ofAb initioModel of Iron-Based Superconductors LaFeAsO

(2011) Takahiro Misawa et al.   JOURNAL OF THE PHYSICAL SOCIETY OF JAPAN

Kinetic frustration and the nature of the magnetic and paramagnetic states in iron pnictides and iron chalcogenides

(2011) Z. P. Yin et al.   NATURE MATERIALS

Superconducting state of the iron pnictide LiFeAs: A combined density-functional and functional-renormalization-group study

(2011) Christian Platt et al.   PHYSICAL REVIEW B

Exoticd-Wave Superconducting State of Strongly Hole-DopedKxBa1−xFe2As2

(2011) Ronny Thomale et al.   PHYSICAL REVIEW LETTERS

Double counting in LDA+DMFT—The example of NiO

(2010) M. Karolak et al.   JOURNAL OF ELECTRON SPECTROSCOPY AND RELATED PHENOMENA

Comparison ofAb initioLow-Energy Models for LaFePO, LaFeAsO, BaFe2As2, LiFeAs, FeSe, and FeTe: Electron Correlation and Covalency

(2010) Takashi Miyake et al.   JOURNAL OF THE PHYSICAL SOCIETY OF JAPAN

Electronic Structure Calculation by First Principles for Strongly Correlated Electron Systems

(2010) Masatoshi Imada et al.   JOURNAL OF THE PHYSICAL SOCIETY OF JAPAN

Realistic many-body models for manganese monoxide under pressure

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

Correlation-induced spin freezing transition in FeSe: A dynamical mean field study

(2010) Ansgar Liebsch 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

Theoretical evidence for strong correlations and incoherent metallic state in FeSe

(2010) Markus Aichhorn et al.   PHYSICAL REVIEW B

Dynamical Vertex Approximation for Nanoscopic Systems

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

Ab initioDerivation of Low-Energy Model for κ-ET Type Organic Conductors

(2009) Kazuma Nakamura et al.   JOURNAL OF THE PHYSICAL SOCIETY OF JAPAN

To What Extent Iron-Pnictide New Superconductors Have Been Clarified: A Progress Report

(2009) Kenji Ishida et al.   JOURNAL OF THE PHYSICAL SOCIETY OF JAPAN

Effective quasiparticle Hamiltonian based on Löwdin’s orthogonalization

(2009) R. Sakuma et al.   PHYSICAL REVIEW B

Dual fermion approach to the two-dimensional Hubbard model: Antiferromagnetic fluctuations and Fermi arcs

(2009) A. N. Rubtsov et al.   PHYSICAL REVIEW B

First-order magnetic and structural phase transitions inFe1+ySexTe1−x

(2009) Shiliang Li 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

Dynamical mean-field theory within an augmented plane-wave framework: Assessing electronic correlations in the iron pnictide LaFeAsO

(2009) Markus Aichhorn et al.   PHYSICAL REVIEW B

Pressure evolution of the low-temperature crystal structure and bonding of the superconductor FeSe(Tc=37 K)

(2009) S. Margadonna et al.   PHYSICAL REVIEW B

Tunable (δπ,δπ)-Type Antiferromagnetic Order inα-Fe(Te,Se) Superconductors

(2009) Wei Bao et al.   PHYSICAL REVIEW LETTERS

Revision of Model Parameters forκ-Type Charge Transfer Salts: AnAb InitioStudy

(2009) Hem C. Kandpal et al.   PHYSICAL REVIEW LETTERS

Downfolded Self-Energy of Many-Electron Systems

(2009) F. Aryasetiawan et al.   PHYSICAL REVIEW LETTERS

Dynamical Vertex Approximation

(2009) Karsten Held et al.   PROGRESS OF THEORETICAL PHYSICS SUPPLEMENT

Ab initioDerivation of Low-Energy Model for Iron-Based Superconductors LaFeAsO and LaFePO

(2008) Kazuma Nakamura et al.   JOURNAL OF THE PHYSICAL SOCIETY OF JAPAN

Variational Monte Carlo Method Combined with Quantum-Number Projection and Multi-Variable Optimization

(2008) Daisuke Tahara et al.   JOURNAL OF THE PHYSICAL SOCIETY OF JAPAN

Optical absorption study byab initiodownfolding approach: Application to GaAs

(2008) Kazuma Nakamura et al.   PHYSICAL REVIEW B

Screened Coulomb interaction in the maximally localized Wannier basis

(2008) Takashi Miyake et al.   PHYSICAL REVIEW B

Dual fermion approach to nonlocal correlations in the Hubbard model

(2008) A. N. Rubtsov et al.   PHYSICAL REVIEW B

Superconductivity in the PbO-type structure  -FeSe

(2008) F.-C. Hsu et al.   PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA