Related papers: Molecular magnetism in the multi-configurational s…
Investigations of molecular magnets are driven both by prospective applications in future storage technology or quantum computing as well as by fundamental questions. Nowadays numerical simulation techniques and computer capabilities make…
Magnetism in strongly correlated honeycomb systems with $d^5$ electronic configuration has garnered significant attention due to its potential to realize the Kitaev spin liquid state, characterized by exotic properties. However, real…
We present a rigorous derivation of the orbital magnetization for interacting electrons within the self-consistent Hartree-Fock approximation. Our method also allows us to derive formulas for the orbital magnetic susceptibility. The results…
The spin structure of wave functions is reflected in the magnetic structure of the one-particle density matrix. Indeed, for single determinants we can use either one to determine the other. In this work we discuss how one can simply examine…
This work is a continuation of our recent study of non-relativistic charged particles, confined to a sphere enclosing a magnetic dipole at its center. In this sequel, we extend our computations in two significant ways. The first is to a…
We develop a strong coupling approach towards quantum magnetism in Mott insulators for Wannier obstructed bands. Despite the lack of Wannier orbitals, electrons can still singly occupy a set of exponentially-localized but nonorthogonal…
In the present paper we examine in a systematic way the most relevant orderings of pure kinetic Hamiltonians for five different position-dependent mass (PDM) profiles: soliton-like, reciprocal quadratic and biquadratic, exponential and…
Geometrically frustrated magnetic molecules have attracted a lot of interest in the field of molecular magnetism as well as frustrated Heisenberg antiferromagnets. In this article we demonstrate how an approximate diagonalization scheme can…
Inelastic neutron scattering has been used to determine the microscopic Hamiltonian describing two high-spin variants of the high-anisotropy Mn$_6$ nanomagnet. The energy spectrum of both systems is characterized by the presence of several…
The spin-3/2 Heisenberg antiferromagnet on the bilayer honeycomb lattice is a minimal model to describe the magnetic behavior of Bi$_3$Mn$_4$O$_{12}$(NO$_3$). We study this model with frustrating inter-layer second-neighbor couplings,…
The use of nuclear spins as physical sensing systems is disadvantaged by their low signal responsivity, particularly when compared to sensing techniques based on electron spins. This primarily results from the small nuclear gyromagnetic…
We compute the magnetic profile of spin Peierls solitons in a simple Heisenberg model with magneto elastic couplings, using independently the DMRG method and the Hartree Fock approximation. Our results agree qualitatively with published NMR…
The energy spectra of mesoscopic, i.e. few-body quantum systems are of great interest in several areas of physics such as nuclear physics, cluster physics or magnetism. One way to obtain an approximate spectrum is to diagonalize with…
The Brueckner--Hartree--Fock formalism is applied to study spin polarized neutron matter properties. Results of the total energy per particle as a function of the spin polarization and density are presented for two modern realistic…
The diagonalization of the metrical Hamiltonian of a scalar field with an arbitrary coupling with a curvature in N-dimensional homogeneous isotropic space is performed. The energy spectrum of the corresponding quasiparticles is obtained.…
The multi-configurational self-consistent field theory is considered the standard starting point for almost all multireference approaches required for strongly-correlated molecular problems. The limitation of the approach is generally given…
We report neutron diffraction under applied magnetic fields and complementary zero-field neutron spectroscopy measurements on Cs$_2$RuO$_4$. Previous work [Phys. Rev. B. 112, 134436 (2025)] identified a spin-flop-like transition accompanied…
Type-II multiferroics, in which the magnetic order breaks inversion symmetry, are appealing for both fundamental and applied research due their intrinsic coupling between magnetic and electrical orders. Using first-principles calculations…
We present a multi-scale computational approach that combines atomistic spin models with the cluster multipole (CMP) method. The CMP method enables a systematic and accurate generation of complex non-collinear magnetic structures using…
Hofstadter's diagram, or the energy spectrum against the magnetic field in tight-binding systems, is obtained for the models having flat (dispersionless) one-electron band(s) that have originally been proposed for itinerant spin…