Related papers: Natural orbital functional for spin-polarized peri…
A numerical algorithm for studying strongly correlated electron systems is proposed. The groundstate wavefunction is projected out after numerical renormalization procedure in the path integral formalism. The wavefunction is expressed from…
Electron correlations in molecules can be divided in short range dynamical correlations, long range Van der Waals type interactions and near degeneracy static correlations. In this work we analyze for a one-dimensional model of a…
The richness of dynamical behavior exhibited by the rotational states of various solar system objects has driven significant advances in the theoretical understanding of their evolutionary histories. An important factor that determines…
Since Spin Density Functional Theory was first proposed, but also recently, examples were constructed to show that a spin-potential may share its ground state with other spin-potentials. In fact, for collinear magnetic fields and systems…
The chirality induced spin selectivity effect remains a challenge to capture with theoretical modeling. While at least a decade was spent on independent electron models, which completely fail to reproduce the experimental results, the…
The Hamiltonian conservative system of two interacting particles has been considered both in classical and quantum description. The quantum model has been realized using a symmetrized two-particle basis reordered in the unperturbed energy.…
Reduced-density-matrix-functional theory is applied to open-shell systems. We introduce a spin-restricted formulation by appropriately expressing approximate correlation-energy functionals in terms of spin-dependent occupation numbers and…
The electronic and magnetic properties of TbMnO3 leading to its ferroelectric (FE) polarization were investigated on the basis of relativistic density functional theory (DFT) calculations. In agreement with experiment, we show that the…
We investigate the influence of spin-orbit coupling $\lambda$ in strongly-correlated multiorbital systems that we describe by a three-orbital Hubbard-Kanamori model on a Bethe lattice. We solve the problem at all integer fillings $N$ with…
In ruthenate materials, non-Fermi liquid (NFL) phases have been observed. We used the natural orbitals renormalization group (NORG) method as an impurity solver for dynamical mean-field theory (DMFT) to study a three-orbital…
Electrons in one-dimension display the unusual property of separating their spin and charge into two independent entities: The first, which derive from uncharged spin-1/2 electrons, can travel at different velocities when compared with the…
A variational method for many electron system is applied to momentum distribution calculations. The method uses a generating two-electron geminal and the amplitudes of the occupancies of one particle natural orbitals as variational…
A whole series of expressions for four species of multipoles (electric, magnetic, magnetic toroidal, and electric toroidal) is provided as a complete basis set to describe arbitrary single-centered spinful electron systems. A compact…
The electronic and magnetic properties of the cubic double perovskite Ba2NaOsO6 were examined by performing first-principles density functional theory calculations and analyzing spin-orbit coupled states of an Os7+ (d1) ion at an octahedral…
We calculate the spectral function of a one-dimensional strongly interacting chain of fermions, where the response can be well understood in terms of spinon and holon excitations. Upon increasing the spin imbalance between the spin species,…
We describe a variational theory of multi-band two-dimensional electron gases that captures the interplay between electrostatic confining potentials, orbital-dependent interlayer electronic hopping and electron-electron interactions, and…
An analysis is made within the quantum formalism of the probabilistic features of the electron spin correlation, with the purpose of clarifying the concepts of contextuality and measurement dependence. The quantum formulas for the spin…
We study the correlation effects on the electronic structure and spin density wave order in Fe-pnictides. Using the multiorbital Hubbard model and Gutzwiller projection, we show that nonperturbative correlation effects are essential to…
Recently introduced time-dependent renormalized-natural-orbital theory (TDRNOT) is based on the equations of motion for the so-called natural orbitals, i.e., the eigenfunctions of the one-body reduced density matrix. Exact TDRNOT can be…
We unravel the dynamical stability of a fully polarized one-dimensional ultracold few-fermion spin-1/2 gas subjected to inhomogeneous driving of the itinerant spins. Despite the unstable character of the total spin-polarization the…