Synthetic Factors Determining the Curvature and Nuclearity of the Giant Mn70 and Mn84 Clusters with a Torus Structure of ∼4 nm Diameter
AR Hale, KA Abboud, G Christou - Inorganic Chemistry, 2023 - ACS Publications
New members of the Mn70 and Mn84 torus-like cluster family have been prepared from a
hybrid comproportionation–alcoholysis reaction of [Mn12O12 (O2CR) 16 (H2O) 4] in alcohol …
hybrid comproportionation–alcoholysis reaction of [Mn12O12 (O2CR) 16 (H2O) 4] in alcohol …
Using Hyperoptimized Tensor Networks and First-Principles Electronic Structure to Simulate the Experimental Properties of the Giant {Mn84} Torus
The single-molecule magnet {Mn84} is a challenge to theory because of its high nuclearity.
We directly compute two experimentally accessible observables, the field-dependent …
We directly compute two experimentally accessible observables, the field-dependent …
Systematic determination of coupling constants in spin clusters from broken-symmetry mean-field solutions
S Ghassemi Tabrizi - The Journal of Chemical Physics, 2023 - pubs.aip.org
Quantum-chemical calculations aimed at deriving magnetic coupling constants in exchange-
coupled spin clusters commonly utilize a broken-symmetry (BS) approach. This involves …
coupled spin clusters commonly utilize a broken-symmetry (BS) approach. This involves …
Exact diagonalization techniques for quantum spin systems
J Schnack - Computational Modelling of Molecular Nanomagnets, 2023 - Springer
The essence of quantum magnetism lies in correlated many-body states. They determine the
physical properties beyond paramagnetism. Even constructions as simple as singlets or …
physical properties beyond paramagnetism. Even constructions as simple as singlets or …
Quantum spin spiral ground state of the ferrimagnetic sawtooth chain
The ferrimagnetic phase of the sawtooth chain with mixed ferromagnetic nearest-neighbour
interactions $ J $ and antiferromagnetic next-nearest-neighbour interactions $ J'$(within the …
interactions $ J $ and antiferromagnetic next-nearest-neighbour interactions $ J'$(within the …
Quantum circuits for the preparation of spin eigenfunctions on quantum computers
The application of quantum algorithms to the study of many-particle quantum systems
requires the ability to prepare wave functions that are relevant in the behavior of the system …
requires the ability to prepare wave functions that are relevant in the behavior of the system …
Ground states of Heisenberg spin clusters from a cluster-based projected Hartree–Fock approach
S Ghassemi Tabrizi, CA Jiménez-Hoyos - Condensed Matter, 2023 - mdpi.com
Recent work on approximating ground states of Heisenberg spin clusters by projected
Hartree–Fock theory (PHF) is extended to a cluster-based ansatz (cPHF). Whereas PHF …
Hartree–Fock theory (PHF) is extended to a cluster-based ansatz (cPHF). Whereas PHF …
Mononuclear Lanthanide Complexes in Triangular Dodecahedron Geometry: Manifestation of Single Ion Magnet Behavior for DyIII Analogue
In this work, a tridentate N, N, O ligand [(E)-4-nitro-2-((pyridine-2-ylmethylene) amino)
phenol](LNO2H) is employed for the synthesis of neutral structurally similar complexes [DyIII …
phenol](LNO2H) is employed for the synthesis of neutral structurally similar complexes [DyIII …
Two dysprosium single molecule magnets with planar skeleton built from edge-shared Dy3 triangles
L Liu, Z Qiu, S Yu, Y Liang, H Hu, HH Zou, D Liu… - Journal of Molecular …, 2024 - Elsevier
Two dysprosium clusters [Dy 4 (µ 3-OH) 2 (L 1) 6 (L 2) 2]· 2CH 3 CN (1) and [Dy 6 (µ 3-OH) 2
(L 3) 2 (HL 3) 2 (H 2 L 3) 2 (EtOH) 2 Cl 2] Cl 2· 2EtOH· 4CH 3 CN (2) bearing in-situ formed …
(L 3) 2 (HL 3) 2 (H 2 L 3) 2 (EtOH) 2 Cl 2] Cl 2· 2EtOH· 4CH 3 CN (2) bearing in-situ formed …
Theoretical identification of key structural factors for strong magnetic anisotropy in Ni (II) complexes
Single-molecule magnets (SMMs) possess a crucial property called magnetic anisotropy
(MA), which has an exceedingly delicate correlation with their structures. In recent years, the …
(MA), which has an exceedingly delicate correlation with their structures. In recent years, the …