Related papers: Molecular magnetism in the multi-configurational s…
We introduce a multi-configurational approach to study the magneto-structural correlations in $3d^2$ systems. The theoretical framework represents a restricted active space self-consistent field method, with active space optimized to the…
Spin fluctuations have a substantial influence on the electron and lattice behaviors in magnetic materials, which, however, is difficult to be tracked properly by prevalent first-principles methods. We propose a versatile self-adaptive…
The possibility of coherent radiation by molecular magnets is investigated. It is shown that to realize the coherent radiation, it is necessary to couple the considered sample to a resonant electric circuit. A theory for describing this…
A many body Hamiltonian comprising pairing, quadrupole-quadrupole and spin-spin interaction is treated within a projected spherical basis with the aim of describing the detailed structure of the magnetic states of orbital and spin-flip…
Magnetic gels and elastomers are promising candidates to construct reversibly excitable soft actuators, triggered from outside by magnetic fields. These magnetic fields induce or alter the magnetic interactions between discrete rigid…
External non-uniform magnetic fields acting on molecules induce non-collinear spin-densities and spin-symmetry breaking. This necessitates a general two-component Pauli spinor representation. In this paper, we report the implementation of a…
The effective spin Hamiltonian method is widely adopted to simulate and understand the behavior of magnetism. However, the magnetic interactions of some systems, such as itinerant magnets, are too complex to be described by any explicit…
The experimental realization of time dependent ultracold lattice systems has paved the way towards the implementation of new Hubbard-like Hamiltonians. We show that in a one dimensional two components lattice dipolar Fermi gas the…
An open problem in applied mathematics is to predict interesting molecules which are realistic targets for chemical synthesis. In this paper, we use a spin Hamiltonian-type model to predict molecular magnets (MMs) with magnetic moments that…
We report first-principles all-electron density-functional based studies of the electronic structure, magnetic ordering and anisotropy for the V$_{15}$ molecular magnet. From these calculations, we determine a Heisenberg Hamiltonian with…
We consider the Hamiltonian for a charged particle in a harmonic potential in the presence of a magnetic field. The most symmetric case depends on one parameter, the variation of which leads from a spectrum bounded from below to an…
We demonstrate that nontrivial multiband topological invariants of electronic wavefunctions can be revealed through orbital magnetization responses to external magnetic fields. We find that decomposing orbital magnetization into energetic…
HoNiSi$_{3}$ is an intermetallic compound characterized by two successive antiferromagnetic transitions at $T_{N1} = 6.3$ K and $T_{N2} = 10.4$ K. Here, its zero-field microscopic magnetic structure is inferred from resonant x-ray magnetic…
Symmetry arguments are used to develop a spin Hamiltonian for the description of the complex magnetic ordering in HoMnO$_3$. Using a novel application of the Landau Lifshitz Gilbert dynamic torque equations to this model of the frustrated…
Spectra of $q \bar{q}$ hadrons are investigated in the framework of the Hamiltonian obtained from the relativistic path integral in external homogeneous magnetic field. The spectra of all 12 spin-isospin s-wave states, generated by $\pi$…
Noncollinear magnetic states in clusters are studied by using the single-band Hubbard Hamiltonian. The unrestricted Hartree-Fock (UHF) approximation is considered without imposing any symmetry constraints neither to the size or orientation…
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…
Molecular quantum magnets adsorbed on surfaces exhibit rich spin and orbital excitations that can be probed by scanning tunneling microscopy with inelastic electron tunneling spectroscopy (STM-IETS). However, the quantitative extraction of…
We discuss the description of quantum magnetization in the super paramagnetic compound Fe$_8$ using a generalization of the Lipkin-Meshkov-Glick Hamiltonian. We study the variation of the energy spectra and of the wave-functions as…
A new electronic structure model is developed in which the ground state energy of a molecular system is given by a Hartree-Fock-like expression with parametrized one- and two-electron integrals over an extended (minimal + polarization) set…