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Kitaev interactions between j = 1 2 moments in honeycomb Na2IrO3 are large and ferromagnetic: insights from ab initio quantum chemistry calculations

New journal of physics, 2014-01, Vol.16 (1), p.013056

2014

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Breakdown of Magnetic Order in the Pressurized Kitaev Iridate β−Li2IrO3

Physical review letters, 2018-06, Vol.120 (23), p.237202

2018

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Spin-orbital separation in the quasi-one-dimensional Mott insulator Sr2CuO3

Nature (London), 2012-05, Vol.485 (7396), p.82-85

2012

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Longer-range lattice anisotropy strongly competing with spin-orbit interactions in pyrochlore iridates

Physical review. B, Condensed matter and materials physics, 2014-03, Vol.89 (11), Article 115111

2014

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Pressure-induced dimerization and valence bond crystal formation in the Kitaev-Heisenberg magnet α−RuCl3

Physical review. B, 2018-06, Vol.97 (24)

2018

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Tuning magnetic coupling in Sr2IrO4 thin films with epitaxial strain

Physical review letters, 2014-04, Vol.112 (14), p.147201-147201

2014

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Testing the validity of the strong spin-orbit-coupling limit for octahedrally coordinated iridate compounds in a model system Sr3CuIrO6

Physical review letters, 2012-10, Vol.109 (15), p.157401-157401

2012

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Comment on 'Oxygen vacancy-induced magnetic moment in edge-sharing CuO2 chains of Li2CuO2'

New journal of physics, 2018-05, Vol.20 (5), p.058001

2018

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Correlated electrons in Fe-As compounds: a quantum chemical perspective

Physical review letters, 2009-04, Vol.102 (13), p.136405-136405, Article 136405

2009

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Quasiparticle bands in cuprates by quantum-chemical methods: towards an ab initio description of strong electron correlations

Physical review letters, 2007-12, Vol.99 (25), p.256404-256404, Article 256404

2007

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Spin-state transition and spin-polaron physics in cobalt oxide perovskites: ab initio approach based on quantum chemical methods

New journal of physics, 2009-02, Vol.11 (2), p.023023

2009

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Magnetic properties and signatures of moment ordering in the triangular lattice antiferromagnet KCeO2

Physical review. B, 2021-09, Vol.104 (9), p.1

2021

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Ferromagnetic ordering of linearly coordinated Co ions in LiSr2[CoN2]

Physical review. B, 2019-03, Vol.99 (9), p.094422

2019

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Non-orthogonal approaches to the study of magnetic interactions

Molecular physics, , Vol.101 (1-2), p.233-240

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Near degeneracy and pseudo Jahn-Teller effects in mixed-valence ladders : The phase transition in NaV2O5

Physical review. B, Condensed matter and materials physics, 2005-11, Vol.72 (19), p.195117.1-195117.5

2005

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Doping Dependence of Collective Spin and Orbital Excitations in the Spin-1 Quantum Antiferromagnet La2-xSrxNiO4 Observed by X Rays

Physical review letters, 2017-04, Vol.118 (15)

2017

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Theoretical characterization of the ground and optically excited states of alpha'-NaV2O5

Physical review letters, 2002-08, Vol.89 (7), p.076407-076407

2002

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Electron correlations and bond-length fluctuations in copper oxide superconductors: Electron versus hole doping

Physical review. B, Condensed matter and materials physics, 2006-06, Vol.73 (24), Article 245101

2006

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Fermiology of cuprates from first principles: From small pockets to the Luttinger Fermi surface

Physical review. B, Condensed matter and materials physics, 2008-10, Vol.78 (16), Article 165107

2008

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Ni 3s-hole states in NiO by non-orthogonal configuration interaction

Chemical physics, 2006-12, Vol.331 (1), p.178-185

2006

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Wave-function-based approach to quasiparticle bands: Insight into the electronic structure of c -ZnS

Physical review. B, Condensed matter and materials physics, 2011-05, Vol.83 (20), Article 205119

2011

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Renormalization of quasiparticle hopping integrals by spin interactions in layered copper oxides

Physical review. B, Condensed matter and materials physics, 2007-05, Vol.75 (17), Article 174505

2007

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Ab initio wave function-based methods for excited states in solids: Correlation corrections to the band structure of ionic oxides

Physical review. B, Condensed matter and materials physics, 2007-08, Vol.76 (8), Article 085109

2007

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Nonlocal interactions in doped cuprates: Correlated motion of Zhang-Rice polarons

Physical review. B, Condensed matter and materials physics, 2007-01, Vol.75 (2), Article 024517

2007

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Electronic and structural properties of RbCeX2(X2: O2, S2, SeS, Se2, TeSe, Te2)

Physical review materials, 2022-08, Vol.6 (8)

2022

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Kitaev interactions between j = 1 2 moments in honeycomb Na2IrO3 are large and ferromagnetic: insights from ab initio quantum chemistry calculations

Breakdown of Magnetic Order in the Pressurized Kitaev Iridate β−Li2IrO3

Spin-orbital separation in the quasi-one-dimensional Mott insulator Sr2CuO3

Longer-range lattice anisotropy strongly competing with spin-orbit interactions in pyrochlore iridates

Pressure-induced dimerization and valence bond crystal formation in the Kitaev-Heisenberg magnet α−RuCl3

Tuning magnetic coupling in Sr2IrO4 thin films with epitaxial strain

Testing the validity of the strong spin-orbit-coupling limit for octahedrally coordinated iridate compounds in a model system Sr3CuIrO6

Comment on 'Oxygen vacancy-induced magnetic moment in edge-sharing CuO2 chains of Li2CuO2'

Correlated electrons in Fe-As compounds: a quantum chemical perspective

Quasiparticle bands in cuprates by quantum-chemical methods: towards an ab initio description of strong electron correlations

Spin-state transition and spin-polaron physics in cobalt oxide perovskites: ab initio approach based on quantum chemical methods

Magnetic properties and signatures of moment ordering in the triangular lattice antiferromagnet KCeO2

Ferromagnetic ordering of linearly coordinated Co ions in LiSr2[CoN2]

Non-orthogonal approaches to the study of magnetic interactions

Near degeneracy and pseudo Jahn-Teller effects in mixed-valence ladders : The phase transition in NaV2O5

Doping Dependence of Collective Spin and Orbital Excitations in the Spin-1 Quantum Antiferromagnet La2-xSrxNiO4 Observed by X Rays

Theoretical characterization of the ground and optically excited states of alpha'-NaV2O5

Electron correlations and bond-length fluctuations in copper oxide superconductors: Electron versus hole doping

Fermiology of cuprates from first principles: From small pockets to the Luttinger Fermi surface

Ni 3s-hole states in NiO by non-orthogonal configuration interaction

Wave-function-based approach to quasiparticle bands: Insight into the electronic structure of c -ZnS

Renormalization of quasiparticle hopping integrals by spin interactions in layered copper oxides

Ab initio wave function-based methods for excited states in solids: Correlation corrections to the band structure of ionic oxides

Nonlocal interactions in doped cuprates: Correlated motion of Zhang-Rice polarons

Electronic and structural properties of RbCeX2(X2: O2, S2, SeS, Se2, TeSe, Te2)

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