相关论文: Many-body models for molecular nanomagnets
In this study, we utilize the many-body expansion (MBE) framework to decompose electronic structures into fragments by incrementing the virtual orbitals. Our work aims to accurately solve the ground and excited state energies of each…
We present a review of recent advances in the study of many-body effects in magnetic nanoparticles. Considering classical spins on a lattice coupled by the exchange interaction in the presence of the bulk and surface anisotropy, we…
We perform \textit{ab initio} no-core shell-model calculations for $A=18$ and $19$ nuclei in a $4\hbar\Omega$, or $N_{\rm max}=4$, model space by using the effective JISP16 and chiral N3LO nucleon-nucleon potentials and transform the…
We present an overview of the evolution of ab initio methods for few-nucleon systems with A \ge 4, tracing the progress made that today allows precision calculations for these systems. First a succinct description of the diverse approaches…
We test a set of multiconfigurational wavefunction approaches for calculating the ground state electron population for a two-site Anderson model representing a molecule on a metal surface. In particular, we compare (i) a Hartree Fock like…
We describe a method for engineering local $k+1$-body interactions ($k=1,2,3$) from two-body couplings in spin-${1}{2}$ systems. When implemented in certain systems with a flat single-particle band with a unit Chern number, the resulting…
In this paper we develop an analytical model in order to study electromagnetic processes involving loosely bound neutron--rich and proton--rich nuclei. We construct a model wave function, to describe loosely bound few--body systems, having…
The interplay between quantum magnetism and many-body physics is of fundamental importance in condensed matter physics. %Magnetic exchange interactions in frustrated lattices give rise to rich phase diagrams. Molecular building blocks…
Quantum master equations are common tools to describe the dynamics of many-body systems open to an environment. Due to the interaction with the latter, even for the case of non-interacting electrons, the computational cost to solve these…
The transition from a few-body system to a many-body system can result in new length scales, novel collective phenomena or even in a phase transition. Such a threshold behavior was shown for example in 4He droplets, where 4He turns into a…
The calculation of interatomic magnetic exchange interactions entering the Heisenberg model from the standpoint of the density functional theory (DFT) is outlined for two Fe-based molecular magnets: a trinuclear complex with a Schiff base…
We present a general scheme for constructing Monte Carlo realizations of equilibrium, collisionless galaxy models with known distribution function (DF) f_0. Our method uses importance sampling to find the sampling DF f_s that minimizes the…
A key to building functional devices on the basis of single molecule magnets in the framework of molecular electronics is the ability to deposit and study these molecules on a surface, because the structural, electronic and magnetic…
Antiferromagnets (AFMs) are strong candidates for the future spintronic and memory applications largely because of their inherently fast dynamics and lack of stray fields, with Mn2Au being one of the most promising. For the numerical…
Quantum simulators are controllable systems that can be used to simulate other quantum systems. Here we focus on the dynamics of a chain of molecular qubits with interposed antiferromagnetic dimers. We theoretically show that its dynamics…
The object of this work is to study the magnetic properties of the Lieb structure based on magnetic particles with core-shell nano-structure. This system is consisting of a ferromagnetic 2D Ising model formed with spins: sigma=1/2, S=1 and…
A simple effective model for a description of magnetically ordered insulators is analysed. The tight binding Hamiltonian consists of the effective on-site interaction (U) and intersite magnetic exchange interactions (Jz, Jxy) between…
A multiscale QM/classical approach is presented, that is able to model the optical properties of complex nanostructures composed of a molecular system adsorbed on metal nanoparticles. The latter are described by a combined…
A simple two-level model is developed and used to test the properties of effective interactions for performing nuclear structure calculations in truncated model spaces. It is shown that the effective many-body interactions sensitively…
In the framework of pionless nucleon-nucleon effective field theory we study different approximation schemes for the nuclear many body problem. We consider, in particular, ladder diagrams constructed from particle-particle, hole-hole, and…