相关论文: Spin contamination and noncollinearity in general …

We consider the magnetic-field dependent spatial magnetization pattern around a general impurity embedded in a Heisenberg antiferromagnet using both an analytical and a numerical spin wave approach. The results are compared to quantum Monte…

We report results for the ground state energies and wave functions obtained by projecting spatially unrestricted Hartree Fock states to eigenstates of the total spin and the angular momentum for harmonic quantum dots with $N\leq 12$…

We present a detailed comparison of the self-consistent calculations based on the Hartree-Fock and the spin density functional theory for a spit-gate quantum wire in the IQH regime. We demonstrate that both approaches provide qualitatively…

We introduce an electronic structure approach for spin symmetry breaking and restoration from the mean-field level. The spin-projected constrained-unrestricted Hartree-Fock (SPcUHF) method restores the broken spin symmetry inherent in…

Neural network wave functions have shown promise as a way to achieve high accuracy on the many-body quantum problem. These wave functions most commonly use a determinant or sum of determinants to antisymmetrize many-body orbitals which are…

We introduce a novel energy functional for ground-state electronic-structure calculations. Its fundamental variables are the natural spin-orbitals of the implied singlet many-body wave function and their joint occupation probabilities. The…

We present a comparative study of the spatial distribution of the spin density (SD) of the ground state of CuCl2 using Density Functional Theory (DFT), quantum Monte Carlo (QMC), and post-Hartree-Fock wavefunction theory (WFT). A number of…

In the heavy quark limit inclusive production rate of a heavy meson can be factorized, in which the nonperturbative effect related to the heavy meson can be characterized by matrix elements defined in the heavy quark effective theory. Using…

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 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…

We present a mathematical analysis of the spin-constrained Hartree-Fock solutions (CHF) of the 2-site Hubbard model. The analysis sheds light on the spin symmetry breaking process around the Coulson-Fischer point. CHF states are useful as…

The spin effects at high energies and momenta transferred $|t|>1 GeV^2$ are analysed for quark-photon scattering. The energy independence of the ratio of spin-flip and spin-non-flip amplitudes in the same $\alpha_s$ order of QCD is…

The one-band Hubbard model at half-filling on a truncated tetrahedron (C$_{12}$), and on the C$_{60}$ molecule is studied. Within the Hartree-Fock approximation, we find a magnetic-like instability of the `Fermi sea' towards a spin-ordered…

We discuss further aspects of the higher spin dS/CFT correspondence. Using a recent result of Dunne and Kirsten, it is shown how to numerically compute the partition function of the free Sp(N) model for a large class of SO(3) preserving…

Complex conjugation symmetry breaking and restoration generate two non-orthogonal configurations at the Hartree-Fock level that can capture static correlation naturally. In conjunction with broken spin-symmetry coupled cluster theory, the…

We estimate the prediction sensitivity with respect to Hartree-Fock exchange in approximate density functionals for representative Fe(II) and Fe(III) octahedral complexes. Based on the observation that the range of parameters spanned by the…

Using \emph{ab initio} linear response techniques we calculate spin wave spectra in K$_{2}$Fe$_{4+x}$Se$_{5}$, and find it to be in excellent agreement with a recent experiment. The spectrum can be alternatively described rather well by…

An approach to generalize any kind of collinear functionals in density functional theory to non-collinear functionals is proposed. This approach, for the very first time, satisfies the correct collinear limit for any kind of functionals,…

A consideration of waves propagating parallel to the external magnetic field is presented. The dielectric permeability tensor is derived from quantum kinetic equations with non-trivial equilibrium spin-distribution functions (NTESDF) in the…

Using a perturbative model for diffractive interactions, we derive an expression for the polarized diffractive structure function $g_1^D$ in the high energy limit. This structure function is given by the interference of diffractive…