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Orbital reconstruction in nonpolar tetravalent transition-metal oxide layers

Nature communications, 2015-06, Vol.6 (1), p.7306-7306, Article 7306

2015

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Coulomb exchange as source of Kitaev and off-diagonal symmetric anisotropic couplings

Communications physics, 2024-04, Vol.7 (1), p.121-5, Article 121

2024

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Kitaev exchange and field-induced quantum spin-liquid states in honeycomb α-RuCl3

Scientific reports, 2016-11, Vol.6 (1), p.37925-37925, Article 37925

2016

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NaRuO2: Kitaev-Heisenberg exchange in triangular-lattice setting

npj quantum materials, 2023-10, Vol.8 (1), p.52-5, Article 52

2023

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Resolution of Low-Energy States in Spin-Exchange Transition-Metal Clusters: Case Study of Singlet States in [Fe(III)4S4] Cubanes

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2021-06, Vol.125 (22), p.4727-4740

2021

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Spin-Pure Stochastic-CASSCF via GUGA-FCIQMC Applied to Iron–Sulfur Clusters

Journal of chemical theory and computation, 2021-09, Vol.17 (9), p.5684-5703

2021

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Covalency and vibronic couplings make a nonmagnetic j=3/2 ion magnetic

npj quantum materials, 2016-12, Vol.1 (1), Article 16029

2016

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Recent developments in the PySCF program package

The Journal of chemical physics, 2020-07, Vol.153 (2), p.024109-024109

2020

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Enhancement of superexchange due to synergetic breathing and hopping in corner-sharing cuprates

Nature physics, 2022-02, Vol.18 (2), p.190-195

2022

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The color center singlet state of oxygen vacancies in TiO2

The Journal of chemical physics, 2020-11, Vol.153 (20), p.204704-204704

2020

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A full configuration interaction quantum Monte Carlo study of ScO, TiO, and VO molecules

The Journal of chemical physics, 2021-04, Vol.154 (16), p.164302-164302

2021

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NECI: N-Electron Configuration Interaction with an emphasis on state-of-the-art stochastic methods

The Journal of chemical physics, 2020-07, Vol.153 (3), p.034107-034107

2020

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Magnetic State of Pyrochlore Cd2Os2O7 Emerging from Strong Competition of Ligand Distortions and Longer-Range Crystalline Anisotropy

Physical review letters, 2013-03, Vol.110

2013

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Electronic correlations and magnetic interactions in infinite-layer NdNiO2

Physical review. B, 2020-12, Vol.102 (24)

2020

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Ab Initio Wavefunction Analysis of Electron Removal Quasi-Particle State of NdNiO2 With Fully Correlated Quantum Chemical Methods

Frontiers in physics, 2022-05, Vol.10

2022

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Orbital breathing effects in the computation of x-ray d-ion spectra in solids by ab initio wave-function-based methods

Journal of physics. Condensed matter, 2017-01, Vol.29 (3), p.035502-035502

2017

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Heavy-mass magnetic modes in pyrochlore iridates due to dominant Dzyaloshinskii-Moriya interaction

Physical review materials, 2018-07, Vol.2 (7), Article 074408

2018

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Recent developments in the P y SCF program package

The Journal of chemical physics, 2020-07, Vol.153 (2)

2020

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OpenMolcas: From Source Code to Insight

Journal of chemical theory and computation, 2019-11, Vol.15 (11), p.5925-5964

2019

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The approach to the regulation of mercury according to the content of its termoforms in soils and bed loads

Gigiena i sanitarija, 2019-03, Vol.96 (2), p.106-113

Bogdanov, Nikolay A.

2019

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Spin-Orbit-Lattice Entangled State in A_{2}MgReO_{6} (A=Ca, Sr, Ba) Revealed by Resonant Inelastic X-Ray Scattering

Physical review letters, 2024-07, Vol.133 (3), p.036501

2024

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Spin-Orbit-Lattice Entangled State in A 2 MgReO 6 ( A = Ca , Sr, Ba) Revealed by Resonant Inelastic X-Ray Scattering

Physical review letters, 2024-07, Vol.133 (3), Article 036501

2024

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ENVIRONMENTAL HAZARD OF THE CONSEQUENCES OF TECHNOGENESIS ON THE AQUATORIA AND THE SEA BANK

Gigiena i sanitarija, 2018-05, Vol.97 (5), p.411-417

Bogdanov, Nikolay A.

2018

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Multiyear variability of ecological-hygienic condition of the land: metals in soils of surroundings of the Astrakhan gas complex

Gigiena i sanitarija, 2019-10, Vol.95 (2), p.144-149

Bogdanov, Nikolay A.

2019

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Combined unitary and symmetric group approach applied to low-dimensional Heisenberg spin systems

Physical review. B, 2022-05, Vol.105 (19), Article 195123

2022

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Orbital reconstruction in nonpolar tetravalent transition-metal oxide layers

Coulomb exchange as source of Kitaev and off-diagonal symmetric anisotropic couplings

Kitaev exchange and field-induced quantum spin-liquid states in honeycomb α-RuCl3

NaRuO2: Kitaev-Heisenberg exchange in triangular-lattice setting

Resolution of Low-Energy States in Spin-Exchange Transition-Metal Clusters: Case Study of Singlet States in [Fe(III)4S4] Cubanes

Spin-Pure Stochastic-CASSCF via GUGA-FCIQMC Applied to Iron–Sulfur Clusters

Covalency and vibronic couplings make a nonmagnetic j=3/2 ion magnetic

Recent developments in the PySCF program package

Enhancement of superexchange due to synergetic breathing and hopping in corner-sharing cuprates

The color center singlet state of oxygen vacancies in TiO2

A full configuration interaction quantum Monte Carlo study of ScO, TiO, and VO molecules

NECI: N-Electron Configuration Interaction with an emphasis on state-of-the-art stochastic methods

Magnetic State of Pyrochlore Cd2Os2O7 Emerging from Strong Competition of Ligand Distortions and Longer-Range Crystalline Anisotropy

Electronic correlations and magnetic interactions in infinite-layer NdNiO2

Ab Initio Wavefunction Analysis of Electron Removal Quasi-Particle State of NdNiO2 With Fully Correlated Quantum Chemical Methods

Orbital breathing effects in the computation of x-ray d-ion spectra in solids by ab initio wave-function-based methods

Heavy-mass magnetic modes in pyrochlore iridates due to dominant Dzyaloshinskii-Moriya interaction

Recent developments in the P y SCF program package

OpenMolcas: From Source Code to Insight

The approach to the regulation of mercury according to the content of its termoforms in soils and bed loads

Spin-Orbit-Lattice Entangled State in A_{2}MgReO_{6} (A=Ca, Sr, Ba) Revealed by Resonant Inelastic X-Ray Scattering

Spin-Orbit-Lattice Entangled State in A 2 MgReO 6 ( A = Ca , Sr, Ba) Revealed by Resonant Inelastic X-Ray Scattering

ENVIRONMENTAL HAZARD OF THE CONSEQUENCES OF TECHNOGENESIS ON THE AQUATORIA AND THE SEA BANK

Multiyear variability of ecological-hygienic condition of the land: metals in soils of surroundings of the Astrakhan gas complex

Combined unitary and symmetric group approach applied to low-dimensional Heisenberg spin systems

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