Journal Article10.1021/CR300500Z
Magnetic interactions in molecules and highly correlated materials: physical content, analytical derivation, and rigorous extraction of magnetic Hamiltonians.
400
Chat with Paper
AI Agents for this Paper
Find similar papers on Google Scholar, PubMed and Arxiv
Write a critical review of this paper
Analyze citations of this paper to find unaddressed research gaps
Citations
•Journal Article
First-principles calculations of electronic structure and spectra of strongly correlated systems: the LDA+U method
TL;DR: In this paper, a generalization of the Local Density Approximation (LDA) method for the systems with strong Coulomb correlations is presented which gives a correct description of the Mott insulators.
2.1K
A Polynuclear Lanthanide Single-Molecule Magnet with a Record
Po-Heng Lin,Tara J. Burchell,Liviu Ungur,Liviu F. Chibotaru,Wolfgang Wernsdorfer,Muralee Murugesu +5 more
- 01 Jan 2009
TL;DR: The magnet-like behavior can be observed by slow relaxation of the magnetization below the blocking temperature as mentioned in this paper, and this assumption has formed the basis for the understanding of the origin of the anisotropic barrier.
495
First principles approach to the electronic structure, magnetic anisotropy and spin relaxation in mononuclear 3d-transition metal single molecule magnets
Mihail Atanasov,Mihail Atanasov,Daniel Aravena,Elizaveta A. Suturina,Elizaveta A. Suturina,Eckhard Bill,Dimitrios Maganas,Frank Neese +7 more
TL;DR: In this paper, a self-contained introduction to electronic structure calculations for single molecule magnet properties is provided in conjunction with several contemporary case studies on diverse mononuclear 3d-transition metal complexes.
314
Molecular magnetism, quo vadis? A historical perspective from a coordination chemist viewpoint☆
Jesús Ferrando-Soria,Julia Vallejo,María Castellano,José Martínez-Lillo,Emilio Pardo,Joan Cano,Isabel Castro,Francesc Lloret,Rafael Ruiz-García,Miguel Julve +9 more
TL;DR: Molecular magnetism has travelled a long way from the pioneering studies on electron exchange and double exchange or spin crossover and valence tautomerism in small oligonuclear complexes, from mono-to di-and tetranuclear species, to the current investigations about magnetic anisotropy and spin dynamics or quantum coherence of simple mono- or large polynuclear complexes.
310
Do Diradicals Behave like Radicals
TL;DR: This review sets out to understand the reactivity of diradicals and how that may differ from monoradicals, and examines activation energies of prototypical radical reactions for representative organic diradICALs and diradicaloids in their two lowest spin states.
299
References
Magnetic Molecular Conductors
Eugenio Coronado,Peter Day +1 more
TL;DR: Comparing Magnetic Metals and Semiconductors with Halometalate Anions and Chain Anions: Maleonitriledithiolates 5439 4.1.
832
N-electron valence state perturbation theory: a fast implementation of the strongly contracted variant
TL;DR: In this paper, a strongly contracted variant of the n -electron valence state perturbation theory (SC NEV-PT) which uses Dyall's Hamiltonian to define the zero-order energies is considered.
830
Evidence for Single-Chain Magnet Behavior in a MnIII−NiII Chain Designed with High Spin Magnetic Units: A Route to High Temperature Metastable Magnets
TL;DR: This material is the first experimental design of a heterometallic chain with ST = 3 magnetic units showing a "single-chain magnet" behavior predicted in 1963 by R. J. Glauber for an Ising one-dimensional system.
825
Multiconfiguration perturbation theory with imaginary level shift
TL;DR: In this paper, the authors proposed an alternative which may be regarded as an imaginary shift, where the singularities are not moved, but disappear completely, replaced by a small distortion of the potential function.
823
Dysprosium triangles showing single-molecule magnet behavior of thermally excited spin states
Jinkui Tang,Ian J. Hewitt,N. T. Madhu,Guillaume Chastanet,Wolfgang Wernsdorfer,Christopher E. Anson,Crifstiano Benelli,Roberta Sessoli,Annie K. Powell +8 more
TL;DR: In the lanthanide-containing phthalocyanine complexes reported in the literature the ligand environment induces a large splitting of the ground Jmanifold, whereas in SMMs large-spin ground states arising from magnetic interactions between the metal centers of the cluster can enhance the weaker single-ion.
823