Related papers: Tree tensor-network real-time multiorbital impurit…
Embedding theories became important approaches used for accurate calculations of both molecules and solids. In these theories, a small chosen subset of orbitals is treated with an accurate method, called an impurity solver, capable of…
Tree tensor network (TTN) provides an essential theoretical framework for the practical simulation of quantum many-body systems, where the network structure defined by the connectivity of the isometry tensors plays a crucial role in…
We investigate the combined effect of Hund's and spin-orbit (SO) coupling on superconductivity in multi-orbital systems. Hund's interaction leads to orbital-singlet spin-triplet superconductivity, where the Cooper pair wave function is…
We study the low-lying excitations in 5d transition-metal oxide Sr_2IrO_4 on the localized electron picture. We find that Hund's coupling together with the spin-orbit interaction leads to exchange anisotropy which causes the spin wave gap.…
Tree tensor network states (TTNS) decompose the system wavefunction to the product of low-rank tensors based on the tree topology, serving as the foundation of the multi-layer multi-configuration time-dependent Hartree (ML-MCTDH) method. In…
Ti substituting Ru in Sr$_2$RuO$_4$ in small concentrations induces incommensurate spin density wave order with a wave vector $\boldsymbol{Q} \simeq (2 \pi /3, 2 \pi /3)$ corresponding to the nesting vector of two out of three Fermi surface…
The simulation of strongly correlated quantum impurity models is a significant challenge in modern condensed matter physics that has multiple important applications. Thus far, the most successful methods for approaching this challenge…
We consider a spin-orbit coupled particle confined in a quantum dot in a bath of impurity spins. We investigate the consequences of spin-orbit coupling on the interactions that the particle mediates in the spin bath. We show that in the…
We propose the entanglement bipartitioning approach to design an optimal network structure of the tree-tensor-network (TTN) for quantum many-body systems. Given an exact ground-state wavefunction, we perform sequential bipartitioning of…
We investigate the dynamical properties of Sr$_2$RuO$_4$ at zero and very low temperature using density functional theory plus dynamical mean-field theory with an exact diagonalization solver. By considering rotationally invariant local…
We here present how a self-consistent solution of the dynamical mean field theory equations can be obtained using exact diagonalization of an Anderson impurity model with accuracies comparable to those found using renormalization group or…
The heavy-fermion system $\mathrm{UTe_2}$ is a candidate for spin-triplet superconductivity, which is of considerable interest to quantum engineering. Among the outstanding issues is the nature of the pairing state. A recent surprising…
Orbital and spin ordering phenomena in strongly correlated systems are commonly studied using the local-density approximation + dynamical mean-field theory approach. Typically, however, such simulations are restricted to simplified models…
Hund metals have attracted attention in recent years due to their unconventional superconductivity, which supposedly originates from non-Fermi-liquid (NFL) properties of the normal state. When studying Hund metals using dynamical mean-field…
We investigate the spin-orbit torque exerted on the magnetic moments of the transition-metal impurities Cr, Mn, Fe and Co, embedded in the surface of the topological insulator Bi$_{2}$Te$ _{3} $, in response to an electric field and a…
In this paper a fast impurity solver is proposed for dynamical mean field theory (DMFT) based on a decoupling of the equations of motion for the impurity Greens function. The resulting integral equations are solved efficiently with a method…
The multichannel Kondo model supports effective anyons on the partially screened impurity, as suggested by its fractional impurity entropy. It was recently demonstrated for the multi-impurity chiral Kondo model, that scattering of an…
Recently, a series of noncentrosymmetric superconductors has been a subject of considerable interest since the discovery of superconductivity in CePt_3Si. In noncentrosymmetric materials, the degeneracy of bands is lifted in the presence of…
To improve the computational efficiencies of the real-space orbital-free density functional theory, this work develops a new single-grid solver by directly providing the closed-form solution to the inner iteration and using an improved…
We develop and employ general Tree Tensor Networks (TTNs) to compute the vibrational spectra for two model systems: a set of 64-dimensional coupled oscillators and acetonitrile. We explore various tree architectures, ranging from the simple…