Related papers: Many-body models for molecular nanomagnets
The state-of-the-art ab initio nuclear many-body approaches with modern nuclear forces are challenged by the recent experimental measurement of the monopole form factor of the $0^+_1\rightarrow 0^+_2$ transition in the $\alpha$ particle…
The application of gate voltages in heavy metal/ferromagnet/Oxide multilayer stacks has been identified as one possible candidate to manipulate their anisotropy at will. However, this method has proven to show a wide variety of behaviours…
Iron oxide magnetic nanoparticles (NPs) are stimuli-responsive materials at the forefront of nanomedicine. Their realistic finite temperature simulations are a formidable challenge for first-principles methods. Here, we use density…
A combined experimental, using X-ray Magnetic Circular Dichroism and theoretical investigation, using full-potential Korringa-Kohn-Rostoker (KKR) Green function method, is carried out to study the spin structure of small magnetic Cr…
The many-body states in an extended Fermionic Molecular Dynamics approach are flexible enough to allow the description of nuclei with shell model nature as well as nuclei with cluster and halo structures. Different many-body configurations…
The existence of many-body mobility edges in closed quantum systems has been the focus of intense debate after the emergence of the description of the many-body localization phenomenon. Here we propose that this issue can be settled in…
We extend a non local and non covariant version of the Thirring model in order to describe a many-body system with spin-flipping interactions By introducing a model with two fermion species we are able to avoid the use of non abelian…
We present an efficient implementation of ab initio many-body quantum embedding and local correlation methods for infinite periodic systems through translational symmetry adapted interpolative separable density fitting, an approach which…
This paper presents a proposal of a rather new type of effective interatomic interaction for molecular dynamics and similar applications. The model consists of atoms with prescribed geometric arrangement of active orbitals, represented by…
Molecular Nanomagnets have attracted the attention of the scientific community since the rich physics behind their magnetic behaviour make them ideal test-beds for fundamental concepts in quantum mechanics. Sophisticated experiments and…
The substitution of one metal ion in a Cr-based molecular ring with dominant antiferromagnetic couplings allows to engineer its level structure and ground-state degeneracy. Here we characterize a Cr7Ni molecular ring by means of…
Spin-electronic devices are poised to become part of mainstream microelectronic technology .Downsizing them, however, faces the intrinsic difficulty that as ferromagnets become smaller, it becomes more difficult to stabilize their magnetic…
A parameterization strategy for molecular models on the basis of force fields is proposed, which allows a rapid development of models for small molecules by using results from quantum mechanical (QM) ab initio calculations and thermodynamic…
We clarify the macroscopic symmetry and microscopic model-parameter conditions for emergence of spin-split electronic band structure in collinear antiferromagnets without atomic spin-orbit coupling. By using the microscopic multipole…
Molecular nanomagnets are among the first examples of spin systems of finite size and have been test-beds for addressing a range of elusive but important phenomena in quantum dynamics. In fact, for short-enough timescales the spin…
Conventional superexchange rules predict ferromagnetic exchange interaction between Ni(II) and M (M=Mo(V), W(V), Nb(IV)). Recent experiments show that in some systems this superexchange is antiferromagnetic. To understand this feature, in…
Accurate modelling of electrostatic interactions and charge transfer is fundamental to computational chemistry, yet most machine learning interatomic potentials (MLIPs) rely on local atomic descriptors that cannot capture long-range…
We develop a theoretical method within the framework of relativistic many-body theory to accurately treat correlation corrections in atoms with few valence electrons. This method combines the all-order approach currently used in precision…
Arrays of interacting magnetic nanostructures were introduced recently as a powerful approach to investigate experimentally the exotic many-body physics of frustrated spin models. Following a similar strategy based on…
Characterization of qubit couplings in many-body quantum systems is essential for benchmarking quantum computation and simulation. We propose a tomographic measurement scheme to determine all the coupling terms in a general many-body…