Дата публикации | Название | Авторы |
2010 | Ab initio investigation of uranium monochalcogenides | Shorikov, A. O.; Medvedeva, J. E.; Poteryaev, A. I.; Mazurenko, V. V.; Anisimov, V. I. |
2015 | Calculation of exchange constants of the Heisenberg model in plane-wave-based methods using the Green's function approach | Korotin, D. M.; Mazurenko, V. V.; Anisimov, V. I.; Streltsov, S. V. |
2008 | Collapse of Magnetic Moment Drives the Mott Transition in MnO | Kuně, J.; Lukoyanov, A. V.; Anisimov, V. I.; Scalettar, R. T.; Pickett, W. E. |
2004 | Computation of Stripes in Cuprates within the LDA + U Method | Anisimov, V. I.; Korotin, M. A.; Mylnikova, A. S.; Kozhevnikov, A. V.; Korotin, Dm. M.; Lorenzana, J. |
2022 | Computational prediction of new magnetic materials | Rahmanian, Koshkaki, S.; Allahyari, Z.; Oganov, A. R.; Solozhenko, V. L.; Polovov, I. B.; Belozerov, A. S.; Katanin, A. A.; Anisimov, V. I.; Tikhonov, E. V.; Qian, G. -R.; Maksimtsev, K. V.; Mukhamadeev, A. S.; Chukin, A. V.; Korolev, A. V.; Mushnikov, N. V.; Li, H. |
2008 | Construction and solution of a Wannier-functions based Hamiltonian in the pseudopotential plane-wave framework for strongly correlated materials | Korotin, Dm.; Kozhevnikov, A. V.; Skornyakov, S. L.; Leonov, I.; Binggeli, N.; Anisimov, V. I.; Trimarchi, G. |
2013 | Correlated band structure of superconducting NdFeAsO0.9F0.1: Dynamical mean-field study | Skornyakov, S. L.; Shein, I. R.; Ivanovskii, A. L.; Anisimov, V. I. |
2014 | Correlation effects and phonon modes softening with doping in Ba 1-xKxBiO3 | Korotin, D. M.; Novoselov, D.; Anisimov, V. I. |
2010 | Correlation Effects in Ni3d States of LaNiPO | Lukoyanov, A. V.; Skornyakov, S. L.; McLeod, J. A.; Abu-Samak, M.; Wilks, R. G.; Kurmaev, E. Z.; Moewes, A.; Skorikov, N. A.; Izyumov, Yu. A.; Finkelstein, L. D.; Anisimov, V. I.; Johrendt, D. |
2018 | Correlation strength, Lifshitz transition, and the emergence of a two-dimensional to three-dimensional crossover in FeSe under pressure | Skornyakov, S. L.; Anisimov, V. I.; Vollhardt, D.; Leonov, I. |
2015 | Correlation-Driven Topological Fermi Surface Transition in FeSe | Leonov, I.; Skornyakov, S. L.; Anisimov, V. I.; Vollhardt, D. |
2016 | Correlations Induced Orbital Ordering and Cooperative Jahn–Teller Distortion in the Paramagnetic Insulator KCrF3 | Novoselov, D.; Korotin, D. M.; Anisimov, V. I. |
2009 | Coulomb correlation effects in LaFeAsO: An LDA + DMFT(QMC) study | Shorikov, A. O.; Korotin, M. A.; Streltsov, S. V.; Skornyakov, S. L.; Korotin, Dm. M.; Anisimov, V. I. |
2023 | Coulomb Correlations and Electronic Structure of CuCo2S4: a DFT + DMFT Study | Skornyakov, S. L.; Trifonov, I. O.; Anisimov, V. I. |
2022 | Coulomb correlations and magnetic properties of L10 FeCo: A DFT+DMFT study | Belozerov, A. S.; Katanin, A. A.; Anisimov, V. I. |
2005 | Crystal-field Splitting for Low Symmetry Systems in ab Initio Calculations | Streltsov, S. V.; Mylnikova, A. S.; Shorikov, A. O.; Pchelkina, Z. V.; Khomskii, D. I.; Anisimov, V. I. |
2007 | Doped Mott Insulator as the Origin of Heavy-fermion Behavior in LiV2O4 | Arita, R.; Held, K.; Lukoyanov, A. V.; Anisimov, V. I. |
2016 | Doping induced spin state transition in LixCoO2 as studied by the GGA + DMFT calculations | Shorikov, A. O.; Gapontsev, V. V.; Streltsov, S. V.; Anisimov, V. I. |
2019 | Dynamical mean-field theory for correlated electron materials | Vollhardt, D.; Anisimov, V. I.; Skornyakov, S. L.; Leonov, I. |
2014 | Effect of Correlations and Doping on the Spin Susceptibility of Iron Pnictides: the Case of KFe2As2 | Skornyakov, S. L.; Anisimov, V. I.; Vollhardt, D. |
2018 | Effect of density of states peculiarities on Hund's metal behavior | Belozerov, A. S.; Katanin, A. A.; Anisimov, V. I. |
2017 | Effect of electron correlations on the electronic structure and phase stability of FeSe upon lattice expansion | Skornyakov, S. L.; Anisimov, V. I.; Vollhardt, D.; Leonov, I. |
2020 | Effect of Electronic Correlations on the Spectral and Magnetic Properties of ZrZn2 | Skornyakov, S. L.; Protsenko, V. S.; Anisimov, V. I.; Katanin, A. A. |
2023 | Electron Correlation Effects in Paramagnetic Cobalt | Belozerov, A. S.; Anisimov, V. I. |
2020 | Electronic Correlation Effects and Local Magnetic Moments in L10phase of FeNi | Belozerov, A. S.; Katanin, A. A.; Anisimov, V. I. |
2012 | Electronic correlations and crystal structure distortions in BaBiO 3 | Korotin, Dm.; Kukolev, V.; Kozhevnikov, A. V.; Novoselov, D.; Anisimov, V. I. |
2014 | Electronic correlations determine the phase stability of iron up to the melting temperature | Leonov, I.; Poteryaev, A. I.; Gornostyrev, Yu. N.; Lichtenstein, A. I.; Katsnelson, M. I.; Anisimov, V. I.; Vollhardt, D. |
2023 | Electronic correlations in the ultranarrow energy band compound Pb9Cu(PO4)6O: A DFT+DMFT study | Korotin, D. M.; Novoselov, D. Y.; Shorikov, A. O.; Anisimov, V. I.; Oganov, A. R. |
2006 | Electronic Structure and Exchange Interactions of Na2 V3 O7 | Mazurenko, V. V.; Mila, F.; Anisimov, V. I. |
2012 | Electronic structure and magnetic properties of PuMGa5 compounds within the LDA + U + SO method | Lukoyanov, A. V.; Shorikov, A. O.; Anisimov, V. I.; Dremov, V. V. |
2010 | Electronic structure and magnetic state of transuranium metals under pressure | Lukoyanov, A. V.; Shorikov, A. O.; Bystrushkin, V. B.; Dyachenko, A. A.; Kabirova, L. R.; Tsiovkin, Yu. Yu.; Povzner, A. A.; Dremov, V. V.; Korotin, M. A.; Anisimov, V. I. |
2014 | Electronic structure and spectra of CuO | Ekuma, C. E.; Anisimov, V. I.; Moreno, J.; Jarrell, M. |
2012 | Electronic structure of nonstoichiometric compounds in the coherent potential approximation | Korotin, M. A.; Skorikov, N. A.; Zainullina, V. M.; Kurmaev, E. Z.; Lukoyanov, A. V.; Anisimov, V. I. |
2020 | Emergence of quantum critical charge and spin-state fluctuations near the pressure-induced Mott transition in MnO, FeO, CoO, and NiO | Leonov, I.; Shorikov, A. O.; Anisimov, V. I.; Abrikosov, I. A. |
2011 | Evidence for strong Coulomb correlations in the metallic phase of vanadium dioxide | Belozerov, A. S.; Poteryaev, A. I.; Anisimov, V. I. |
2023 | Evolution from two- to one-dimensional magnetic interactions in Cu2 F5-x through electron doping by fluoride nonstoichiometry | Korotin, D. M.; Novoselov, D. Y.; Anisimov, V. I. |
2014 | First-principles calculation of atomic forces and structural distortions in strongly correlated materials | Leonov, I.; Anisimov, V. I.; Vollhardt, D. |
2008 | First-principles Investigation of Symmetric and Antisymmetric Exchange Interactions of SrCu2(BO3)2 | Mazurenko, V. V.; Skornyakov, S. L.; Anisimov, V. I.; Mila, F. |
2023 | Formal Valence, Charge Distribution, and Chemical Bond in a Compound with a High Oxidation State: KMnO4 | Anisimov, V. I.; Oganov, A. R.; Mazannikova, M. A.; Novoselov, D. Y.; Korotin, D. M. |
2015 | Hellmann-Feynman forces within the DFT + U in Wannier functions basis | Novoselov, D.; Korotin, D. M.; Anisimov, V. I. |
2018 | Hydrogenation-driven formation of local magnetic moments in FeO2 Hx | Shorikov, A. O.; Poteryaev, A. I.; Anisimov, V. I.; Streltsov, S. V. |
2013 | The influence of defects on magnetic properties of fcc-Pu | Shorikov, A. O.; Anisimov, V. I.; Korotin, M. A.; Dremov, V. V.; Sapozhnikov, P. A. |
2020 | Influence of molecular orbitals on magnetic properties of FeO2HX | Shorikov, A. O.; Skornyakov, S. L.; Anisimov, V. I.; Streltsov, S. V.; Poteryaev, A. I. |
2003 | Influence of Rare-earth Ion Radii on the Low-spin to Intermediate-spin State Transition in Lanthanide Cobaltite Perovskites: LaCoO3 Versus HoCoO3 | Nekrasov, I. A.; Streltsov, S. V.; Korotin, M. A.; Anisimov, V. I. |
2004 | The Influence of the Co3+ Spin State on the Optical Properties of LaCoO3 and HoCoO3 | Nomerovannaya, L. V.; Makhnev, A. A.; Streltsov, S. V.; Nekrasov, I. A.; Korotin, M. A.; Shiryaev, S. V.; Bychkov, G. L.; Barilo, S. N.; Anisimov, V. I. |
2013 | Interplay between lattice, orbital, and magnetic degrees of freedom in the chain-polymer Cu(II) breathing crystals | Streltsov, S. V.; Petrova, M. V.; Morozov, V. A.; Romanenko, G. V.; Anisimov, V. I.; Lukzen, N. N. |
2021 | Itinerant Magnetism of Chromium under Pressure: A DFT+DMFT Study | Belozerov, A. S.; Katanin, A. A.; Anisimov, V. I. |
2010 | LDA+DMFT Spectral Functions and Effective Electron Mass Enhancement in the Superconductor LaFePO | Skornyakov, S. L.; Skorikov, N. A.; Lukoyanov, A. V.; Shorikov, A. O.; Anisimov, V. I. |
2012 | LDA+DMFT study of magnetic transition and metallization in CoO under pressure | Dyachenko, A. A.; Shorikov, A. O.; Lukoyanov, A. V.; Anisimov, V. I. |
2011 | Linear-temperature Dependence of Static Magnetic Susceptibility in LaFeAsO from Dynamical Mean-field Theory | Skornyakov, S. L.; Katanin, A. A.; Anisimov, V. I. |
2007 | Local Correlations and Hole Doping in NiO: A Dynamical Mean-Field Study | Kuneš, J.; Anisimov, V. I.; Lukoyanov, A. V.; Vollhardt, D. |
2018 | Magnetic exchange and susceptibilities in fcc iron: A supercell dynamical mean-field theory study | Katanin, A. A.; Belozerov, A. S.; Anisimov, V. I. |
2013 | Magnetic fluctuations and effective magnetic moments in γ-iron due to electronic structure peculiarities | Igoshev, P. A.; Efremov, A. V.; Poteryaev, A. I.; Katanin, A. A.; Anisimov, V. I. |
2020 | Magnetic Fluctuations and Superconducting Pairing in ϵ -iron | Belozerov, A. S.; Katanin, A. A.; Irkhin, V. Yu.; Anisimov, V. I. |
2005 | Magnetic state and electronic structure of the δ and α phases of metallic Pu and its compounds | Shorikov, A. O.; Lukoyanov, A. V.; Korotin, M. A.; Anisimov, V. I. |
2005 | Magnetic State and Electronic Structure of the δ and α Phases of Metallic Pu and Its Compounds | Shorikov, A. O.; Lukoyanov, A. V.; Korotin, M. A.; Anisimov, V. I. |
2012 | Magnetic susceptibility of cerium: An LDA+DMFT study | Streltsov, S. V.; Gull, E.; Shorikov, A. O.; Troyer, M.; Anisimov, V. I.; Werner, P. |
2013 | Magnetism of iron and nickel from rotationally invariant Hirsch-Fye quantum Monte Carlo calculations | Belozerov, A. S.; Leonov, I.; Anisimov, V. I. |
2015 | Metal-insulator transition and lattice instability of paramagnetic V2O3 | Leonov, I.; Anisimov, V. I.; Vollhardt, D. |
2010 | Metal-Insulator Transitions and Magnetism in Correlated Band Insulators: FeSi and Fe1-x CoxSi | Mazurenko, V. V.; Shorikov, A. O.; Lukoyanov, A. V.; Kharlov, K.; Gorelov, E.; Lichtenstein, A. I.; Anisimov, V. I. |
2012 | Microscopic origin of the linear temperature increase of the magnetic susceptibility of BaFe2As2 | Skornyakov, S. L.; Anisimov, V. I.; Vollhardt, D. |
2021 | Mixed Spin S = 1 and S = 12 Layered Lattice in Cu2 F5 | Korotin, D. M.; Novoselov, D. Y.; Anisimov, V. I.; Oganov, A. R. |
2017 | Momentum-dependent susceptibilities and magnetic exchange in bcc iron from supercell dynamical mean-field theory calculations | Belozerov, A. S.; Katanin, A. A.; Anisimov, V. I. |
2014 | Nature of the ferromagnetic ground state in the Mn 4 molecular magnet | Streltsov, S. V.; Pchelkina, Z. V.; Khomskii, D. I.; Skorikov, N. A.; Anokhin, A. O.; Shvachko, Y. N.; Korotin, M. A.; Anisimov, V. I.; Ustinov, V. V. |
2007 | NiO: Correlated Band Structure of a Charge-Transfer Insulator | Kuneš, J.; Anisimov, V. I.; Skornyakov, S. L.; Lukoyanov, A. V.; Vollhardt, D. |
2016 | Nonlocal correlations in the vicinity of the α-γ Phase transition in iron within a DMFT plus spin-fermion model approach | Katanin, A. A.; Belozerov, A. S.; Anisimov, V. I. |
2021 | Novel Copper Fluoride Analogs of Cuprates | Rybin, N.; Novoselov, D. Y.; Korotin, D. M.; Anisimov, V. I.; Oganov, A. R. |
2013 | One-particle irreducible functional approach: A route to diagrammatic extensions of the dynamical mean-field theory | Rohringer, G.; Toschi, A.; Hafermann, H.; Held, K.; Anisimov, V. I.; Katanin, A. A. |
2007 | Orbital density functional as a means to restore the discontinuities in the total-energy derivative and the exchange-correlation potential | Anisimov, V. I.; Kozhevnikov, A. V.; Korotin, M. A.; Lukoyanov, A. V.; Khafizullin, D. A. |
2003 | Orbital State and Magnetic Properties of (Formula Presented) | Nekrasov, I. A.; Pchelkina, Z. V.; Keller, G.; Pruschke, T.; Held, K.; Krimmel, A.; Vollhardt, D.; Anisimov, V. I. |
2021 | Orbital-selective coherence-incoherence crossover and metal-insulator transition in Cu-doped NaFeAs | Skornyakov, S. L.; Anisimov, V. I.; Leonov, I. |
2010 | Orbital-Selective Pressure-Driven Metal to Insulator Transition in FeO from Dynamical Mean-Field Theory | Shorikov, A. O.; Pchelkina, Z. V.; Anisimov, V. I.; Skornyakov, S. L.; Korotin, M. A. |
2019 | Paraorbital ground state of the trivalent Ni ion in LiNiO2 from DFT+DMFT calculations | Korotin, D. M.; Novoselov, D.; Anisimov, V. I. |
2018 | Phonon mode softening and elastic properties of hafnium under pressure | Novoselov, D.; Anisimov, V. I.; Ponosov, Yu. S. |
2015 | Pressure-driven metal-insulator transition in BiFeO3 from dynamical mean-field theory | Shorikov, A. O.; Lukoyanov, A. V.; Anisimov, V. I.; Savrasov, S. Y. |
2010 | Renormalized Spectral Function for Co Adatom on the Pt(111) Surface | Mazurenko, V. V.; Iskakov, S. N.; Rudenko, A. N.; Anisimov, V. I.; Lichtenstein, A. I. |
2012 | Role of rotational symmetry in the magnetism of a multiorbital model | Antipov, A. E.; Krivenko, I. S.; Anisimov, V. I.; Lichtenstein, A. I.; Rubtsov, A. N.; Лихтенштейн, А. И. |
2018 | Role of temperature and Coulomb correlation in the stabilization of the CsCl-type phase in FeS under pressure | Shorikov, A. O.; Roizen, V. V.; Oganov, A. R.; Anisimov, V. I. |
2006 | The role of transition metal impurities and oxygen vacancies in the formation of ferromagnetism in Co-doped TiO2 | Anisimov, V. I.; Korotin, M. A.; Nekrasov, I. A.; Mylnikova, A. S.; Lukoyanov, A. V.; Wang, J. L.; Zeng, Z. |
2012 | Rotationally invariant exchange interaction: The case of paramagnetic iron | Anisimov, V. I.; Belozerov, A. S.; Poteryaev, A. I.; Leonov, I. |
2006 | The semiconductor-to-ferromagnetic-metal transition in FeSb2 | Lukoyanov, A. V.; Mazurenko, V. V.; Anisimov, V. I.; Sigrist, M.; Rice, T. M. |
2012 | Spectral properties of LiFeAs: An LDA+DMFT study | Skornyakov, S. L.; Novoselov, D. Y.; Gurel, T.; Anisimov, V. I. |
2012 | Spin state transition and covalent bonding in LaCoO3 | Krapek, V.; Novak, P.; Kunes, J.; Novoselov, D.; Korotin, Dm M.; Anisimov, V. I. |
2016 | Spin state transition in the active center of the hemoglobin molecule: DFT + DMFT study | Novoselov, D.; Korotin, D. M.; Anisimov, V. I. |
2015 | Structural γ-ε Phase transition in Fe-Mn alloys from a CPA + DMFT approach | Belozerov, A. S.; Poteryaev, A. I.; Skornyakov, S. L.; Anisimov, V. I. |
2013 | Structural, elastic and electronic properties of new layered superconductor HfCuGe2 in comparison with isostructural HfCuSi2, ZrCuGe2, and ZrCuSi2 from first-principles calculations | Shein, I. R.; Skornyakov, S. L.; Anisimov, V. I.; Ivanovskii, A. L. |
2017 | Suppression of magnetism under pressure in FeS: A DFT+DMFT study | Ushakov, A. V.; Shorikov, A. O.; Anisimov, V. I.; Baranov, N. V.; Streltsov, S. V. |
2023 | Transition from Pauli paramagnetism to Curie-Weiss behavior in vanadium | Belozerov, A. S.; Katanin, A. A.; Anisimov, V. I. |
2007 | Wannier Functions and Exchange Integrals: The Example of Li Cu2 O2 | Mazurenko, V. V.; Skornyakov, S. L.; Kozhevnikov, A. V.; Mila, F.; Anisimov, V. I. |
2005 | Weak Ferromagnetism in Antiferromagnets: α- Fe2 O3 and La2 Cu O4 | Mazurenko, V. V.; Anisimov, V. I. |
2009 | Weak Ferromagnetism in Mn Nanochains on the CuN Surface | Rudenko, A. N.; Mazurenko, V. V.; Anisimov, V. I.; Lichtenstein, A. I. |