Related papers: Many-body models for molecular nanomagnets
Achieving long-range ferrimagnetic order in purely organic systems remains a major challenge in molecular magnetism. Here we report the synthesis and characterization of heterospin-coupling motifs, formed by covalently linking spin-1/2 and…
Magnetic nanostructures on non-magnetic or magnetic substrates have attracted strong attention due to the development of new experimental methods with atomic resolution. Motivated by this progress we have extended the full-potential…
Magnetic nanoparticles are useful biological probes as well as therapeutic agents. There have been several approaches used to model nanoparticle magnetization dynamics for both Brownian as well as N\'eel rotation. The magnetizations are…
We combine a recently developed ab initio many-body approach capable of describing simultaneously both bound and scattering states, the ab initio NCSM/RGM, with an importance truncation scheme for the cluster eigenstate basis and demostrate…
Carbon-based nanostructures possessing {\pi}-electron magnetism have attracted tremendous interest due to their great potential for nano spintronics. In particular, quantum chains with magnetic molecular units synthesized by on-surface…
Van der Waals heterostructures are a core tool in quantum material design. The recent addition of monolayer ferroelectrics expands the possibilities of designer materials. Ferroelectric domains can be manipulated using electric fields, thus…
Systems consisting of few interacting fermions are the building blocks of matter with atoms and nuclei being the most prominent examples. We have created an artificial few-body quantum system with complete control over the system's quantum…
The theoretical study of ultracold few-body systems is often done using an idealized 1D model with zero range interactions. Here we study these systems using a more realistic 3D model with finite range interactions. We place…
While molecular machines play an increasingly significant role in nanoscience research and applications, there remains a shortage of investigations and understanding of the molecular gear (cogwheel), which is an indispensable and…
We present the implementation of an electronic-structure approach dedicated to ionization dynamics of molecules interacting with x-ray free-electron laser (XFEL) pulses. In our scheme, molecular orbitals for molecular core-hole states are…
We propose a new, alternative method for ab-initio calculations of the electronic structure of solids, which has been specifically adapted to treat many-body effects in a more rigorous way than many existing ab-initio methods. We start from…
The description of nuclei starting from the constituent nucleons and the realistic interactions among them has been a long-standing goal in nuclear physics. In addition to the complex nature of the nuclear forces, with two-, three- and…
Organic and molecule-based magnets are not easily attainable, because to introduce stable paramagnetic centers to pure organic systems is challenging. Crystalline covalent organic frameworks (COFs) with high designability and chemical…
Stimulated by the successful descriptions of strongly correlated electron systems by fractionalized fermions, correspondence between interacting fermions and non-interacting multi-component fermions is formulated in examples of the Hubbard…
Spintronic devices are a promising beyond-CMOS device option thanks to their energy efficiency and compatibility with CMOS. To accurately capture their multi-physics dynamics, a rigorous treatment of both spin and charge and their…
We study universal bosonic few-body systems within the framework of effective field theory at leading order (LO). We calculate binding energies of systems of up to six particles and the atom-dimer scattering length. Convergence to the limit…
Many-body cages have very recently emerged as a general route for nonergodic behaviour in quantum matter. Here, we show that new types of many-body cages can be engineered in Floquet circuits with the potential to realize novel…
We add the magnetic degrees of freedom to the widely used Gaussian Approximation Potential of machine learning (ML) and present a model that describes the potential energy surface of a crystal based on the atomic coordinates as well as…
Molecular nanomagnets show clear signatures of coherent behavior and have a wide variety of effective low-energy spin Hamiltonians suitable for encoding qubits and implementing spin-based quantum information processing. At the nanoscale,…
In this paper, it is presented a novel strategy to optimize the determination of magnetic couplings by using ab-initio calculations of the energy. This approach allows determining efficiently, in terms of a proposed effective magnetic spin…