Search Results - "Thunström, Patrik"
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Electronic entanglement in late transition metal oxides
Published in Physical review letters (02-11-2012)“…We present a study of the entanglement in the electronic structure of the late transition metal monoxides--MnO, FeO, CoO, and NiO--obtained by means of…”
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Efficient DMFT impurity solver using real-time dynamics with matrix product states
Published in Physical review. B, Condensed matter and materials physics (20-10-2015)Get full text
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The AbinitioDΓA Project v1.0: Non-local correlations beyond and susceptibilities within dynamical mean-field theory
Published in Computer physics communications (01-12-2019)“…The ab initio extension of the dynamical vertex approximation (DΓA) method allows for realistic materials calculations that include non-local correlations…”
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In Situ Pseudopotentials for Electronic Structure Theory
Published in Journal of physical chemistry. C (15-07-2021)“…We present a general method of constructing in situ pseodopotentials from first-principles, all-electron, and full-potential electronic structure calculations…”
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Orbital and electronic entanglement in quantum teleportation schemes
Published in Physical review research (01-08-2021)“…With progress toward more compact quantum computing architectures, fundamental questions regarding the entanglement of indistinguishable particles need to be…”
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Electronic structure of Bi nanolines on InAs(100)
Published in Applied surface science (15-02-2023)“…Self-assembled nanolines are attractive to build the technological devices of next generation, but characterizing their electronic properties is often…”
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Two-dimensional heavy fermions in the van der Waals metal CeSiI
Published in Nature (London) (18-01-2024)“…Heavy-fermion metals are prototype systems for observing emergent quantum phases driven by electronic interactions 1 – 6 . A long-standing aspiration is the…”
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Correlated electronic structure and chemical bonding of cerium pnictides and γ -Ce
Published in Physical review. B, Condensed matter and materials physics (12-09-2012)“…We present calculated spectral properties and lattice parameters for cerium pnictides (CeN, CeP, CeAs, CeSb, CeBi) and gamma -Ce, within the LDA/GGA+DMFT…”
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Re‐Dichalcogenides: Resolving Conflicts of Their Structure–Property Relationship
Published in Advanced Physics Research (01-12-2022)“…ReX2 (X = S, Se) remains a copious source of controversies and unanswered questions due to its widely contrasting experimental and theoretical results. With…”
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Chebyshev expansion for impurity models using matrix product states
Published in Physical review. B, Condensed matter and materials physics (30-07-2014)“…We improve a recently developed expansion technique for calculating real-frequency spectral functions of any one-dimensional model with short-range…”
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Photoelectron dispersion in metallic and insulating VO2 thin films
Published in Physical review research (2021)“…The underlying mechanism behind the metal-to-insulator transition in VO2 is still a topic of intense debate. The two leading theoretical interpretations…”
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Electronic Entanglement in Late Transition Metal Oxides
Published in Physical review letters (31-10-2012)Get full text
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Generic Optical Excitations of Correlated Systems: π-tons
Published in Physical review letters (31-01-2020)“…The interaction of light with solids gives rise to new bosonic quasiparticles, with the exciton being-undoubtedly-the most famous of these polaritons. While…”
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Ab initio investigation of ZnV 2 O 4 , ZnV 2 S 4 , and ZnV 2 Se 4 as cathode materials for aqueous zinc-ion batteries
Published in Acta materialia (2025)“…Zinc-ion batteries (ZIBs) employing aqueous electrolytes have emerged as one of the most promising alternatives to lithium-ion batteries (LIBs). Nonetheless,…”
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Magnetic properties of NdFe 11 Ti and YFe 11 Ti, from experiment and theory
Published in Acta materialia (01-01-2023)Get full text
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Towards ab initio Calculations with the Dynamical Vertex Approximation
Published in Journal of the Physical Society of Japan (15-04-2018)“…While key effects of the many-body problem-such as Kondo and Mott physics-can be understood in terms of onsite correlations, non-local fluctuations of charge,…”
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Magnetic properties of NdFe11Ti and YFe11Ti, from experiment and theory
Published in Acta materialia (01-01-2023)“…[Display omitted] NdFe11Ti and YFe11Ti serve as prototypes for rare-earth (RE) lean or REfree magnets with the ThMn12-type structure. Although NdFe11Ti has…”
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Magnetism in A V3Sb5 (A=Cs, Rb, and K): Origin and Consequences for the Strongly Correlated Phases
Published in Physical review letters (10-11-2023)“…The V-based kagome systems AV3Sb5 (A=Cs, Rb, and K) are unique by virtue of the intricate interplay of nontrivial electronic structure, topology, and…”
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Magnetism in A V 3 Sb 5 ( A = Cs , Rb, and K): Origin and Consequences for the Strongly Correlated Phases
Published in Physical review letters (01-11-2023)Get full text
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Magnetism in AV 3 Sb 5 (A = Cs, Rb, and K): Origin and Consequences for the Strongly Correlated Phases
Published in Physical review letters (2023)“…The V-based kagome systems AV3Sb5 (A = Cs, Rb, and K) are unique by virtue of the intricate interplay of nontrivial electronic structure, topology, and…”
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