Related papers: Tree tensor-network real-time multiorbital impurit…
Orbital entropies, pair entropies, and mutual information have become popular tools for analysis of strongly correlated wave functions. They can quantitatively measure how strongly an orbital (e.g. from the DMRG active space) participates…
We investigate the interplay of spin-orbit coupling (SOC) and electronic correlations in Sr2RuO4 using dynamical mean-field theory. We find that SOC does not affect the correlation-induced renormalizations, which validates the Hund's metal…
The Anderson impurity model for Kondo problem is investigated for arbitrary orbit-spin degeneracy $N$ of the magnetic impurity by the equation of motion method (EOM). By employing a new decoupling scheme, a set self-consistent equations for…
A versatile and efficient variational approach is developed to solve in- and out-of-equilibrium problems of generic quantum spin-impurity systems. Employing the discrete symmetry hidden in spin-impurity models, we present a new canonical…
When applying isogeometric analysis to engineering problems, one often deals with multi-patch spline spaces that have incompatible discretisations, e.g. in the case of moving objects. In such cases mortaring has been shown to be…
By viewing current in the detecting lead of a spintronic device as being an ensemble of flowing spins corresponding to a mixed quantum state, where each spin itself is generally described by an improper mixture generated during the…
Nanoscale physics and dynamical mean field theory have both generated increased interest in complex quantum impurity problems and so have focused attention on the need for flexible quantum impurity solvers. Here we demonstrate that the…
We propose a mixed-configuration approximation based on single-band impurity solvers to efficiently study nonequilibrium multi-orbital systems at moderate computational cost. In this work, we merge the approach with the so-called auxiliary…
The strong electron correlations caused by Coulomb interaction of impurity electrons are taken into account. The infinite series of diagrams containing irreducible Green's functions are summed. For symmetric Anderson model we establish the…
We propose that real-space properties of the two-impurity Kondo model can be obtained from an effective spin model where two single-impurity Kondo spin chains are joined via an RKKY interaction between the two impurity spins. We then use a…
The accurate determination of the electronic structure of strongly correlated materials using first principle methods is of paramount importance in condensed matter physics, computational chemistry, and material science. However, due to the…
Density functional calculations are performed to study the magnetic order of the severely distorted square planar cupric oxide (CuO) and local spin disorder in it in the presence of the transition metal impurities M (= Cr, Mn, Fe, Co and…
We present a tree-tensor-network-based method to study strongly correlated systems with nonlocal interactions in higher dimensions. Although the momentum-space and quantum-chemistry versions of the density matrix renormalization group…
A variational model for the infra-red spectrum of VO is presented which aims to accurately predict the hyperfine structure within the VO $\mathrm{X}\,^4\Sigma^-$ electronic ground state. To give the correct electron spin splitting of the…
We present a continuous-time Monte Carlo impurity solver for multiorbital impurity models which combines a strong-coupling hybridization expansion and a weak-coupling expansion in the Hund's coupling parameter J. This double-expansion…
We use a trial wave function to study the spin-1/2 Kondo effect of a helical metal on the surface of a three-dimensional topological insulator. While the impurity spin is quenched by conduction electrons, the spin-spin correlation of the…
We investigate the effect of spin-orbit coupling on the behavior of magnetic impurity at the edge of a zigzag graphene ribbon by means of quantum Monte Carlo simulations. A peculiar interplay of Kane-Mele type spin-orbit and impurity-host…
We study the T=0 Kondo physics of a spin-1/2 impurity in a non-centrosymmetric metal with spin-orbit interaction. Within a simple variational approach we compute ground state properties of the system for an {\it arbitrary} form of…
The corrections to the $E_2^*$ energy level of hydrogenic impurities in semiconductors with wurtzite crystal structure are calculated using first-order perturbation theory in the envelope-function approximation. We consider the intrinsic…
Recent advancement of rainbow tensor models based on their superintegrability (manifesting itself as the existence of an explicit expression for a generic Gaussian correlator) has allowed us to bypass the long-standing problem seen as the…