Related papers: Natural orbital functional for spin-polarized peri…
The behaviour of resonances in the spin-orbit coupling in Celestial Mechanics is investigated. We introduce a Hamiltonian nearly-integrable model describing an approximation of the spin-orbit interaction. A parametric representation of…
A systematic microscopic theory of magnetically induced ferroelectricity and lattice modulation is presented for all electron configurations of Mott-insulating transition-metal oxides. Various mechanisms of polarization are identified in…
The movement of the electrons under the simultaneous influence of a scalar periodic potential and of a uniform transversal magnetic field is described by the well-known second order discrete Harper equation. This equation originates from a…
We describe how the semiclassical theory of radical pair recombination reactions recently introduced by two of us [D. E. Manolopoulos and P. J. Hore, J. Chem. Phys. 139, 124106 (2013)] can be generalised to allow for different singlet and…
Eigenvalue-type equations for Lowdin-Amos-Hall spin-paired (corresponding) orbitals are developed to provide an alternative to the standard spin-polarized Hartree-Fock or Kohn-Sham equations. Obtained equations are non-canonical…
In this contribution, we start off from a fully relativistic description of a single electron non-minimally coupled to an external electromagnetic field. Making direct use of the field equation, instead of canonically deriving from the…
By applying Berry-phase theory for the effective half-filled Hubbard model, we derive an analytical expression for the electronic polarization driven by the relativistic spin-orbit (SO) coupling. The model itself is constructed in the…
The electronic structures of the cubic and tetragonal $\mathrm{MnV}_2\mathrm{O}_4$ have been studied by using hybrid-exchange density functional theory. The computed electronic structure of the tetragonal phase shows an anti-ferro orbital…
Theoretical study is performed of a single-mode polariton system with linear coupling of spin components. When combined with an ordinary two-particle interaction, the spin coupling involves a spontaneous symmetry breaking accompanied by a…
We introduce natural atomic orbitals as the local projector to define the correlated subspace for DFT + DMFT (density functional theory plus dynamical mean-field theory) calculation. The natural atomic orbitals are found to be stably…
We consider the evolution of a binary system interacting due to tidal effects without restriction on the orientation of the orbital, and where significant, spin angular momenta, and orbital eccentricity. We work in the low tidal forcing…
Dynamic response of two-dimensional electron systems with spin-orbit interaction is studied theoretically on the basis of quantum kinetic equation, taking into account elastic scattering of electrons. The spin polarization and spin current…
The time-dependent Schrodinger equation of a many particle spin system consisting of an electron in a quantum dot interacting with the spins of the nuclei (N) in the dot due to hyperfine interaction is solved exactly for a given arbitrary…
We study the magnetic structure of the ground state of an itinerant Fermi system of spin-\nicefrac{1}{2} particles with magnetic dipole-dipole interactions. We show that, quite generally, the spin state of particles depend on its momentum,…
We discuss a formalism for the spin correlations and polarizations in two-particle systems with spins half-half, half-one and one-one, and provide the connections between the polarizations and correlations with the joint angular…
Based on standard perturbation theory, we present a full quantum derivation of the formula for the orbital magnetization in periodic systems. The derivation is generally valid for insulators with or without a Chern number, for metals at…
We study double-exchange models with itinerant t2g electrons in spinel and pyrochlore crystals. In both cases the localized spins form a network of corner-sharing tetrahedra. We show that the strong directional dependence of t2g orbitals…
We consider a model of strongly correlated $e_g$ electrons interacting by superexchange orbital interactions in the ferromagnetic phase of LaMnO$_3$. It is found that the classical orbital order with alternating occupied $e_g$ orbitals has…
We analyse the conservative evolution of spinning compact binaries to second post-Newtonian (2PN) order accuracy, with leading order spin-orbit, spin-spin and mass quadrupole-monopole contributions included. As a main result we derive a…
A nonequilibrium Green's functions (NEGF) approach for spatially inhomogeneous, strongly correlated artificial atoms is presented and applied to compute the time-dependent properties while starting from a (correlated) initial few-electron…