相关论文: Single-site orthogonalization for first-principles…

We study the ground state quantum spin fluctuations around the N\'eel ordered state for the one-band ($t,U$) Hubbard model on a site-diluted square lattice. An effective spin Hamiltonian, $H_{\rm s}^{(4)}$, is generated using the canonical…

We present a relativistic correction scheme to improve the accuracy of 1s core-level binding energies calculated from Green's function theory in the $GW$ approximation, which does not add computational overhead. An element-specific…

We propose a new framework for first-principle calculations of heavy-fermion materials. These are described in terms of the Kondo lattice Hamiltonian with the parameters extracted from a realistic density functional based calculation which…

We study analytically and asymptotically as well as numerically ground states and dynamics of two-component spin-orbit-coupled Bose-Einstein condensates (BECs) modeled by the coupled Gross-Pitaevskii equations (CGPEs). In fact, due to the…

The accurate calculation of electronic potential energy surfaces for ground and excited states is crucial for understanding photochemical processes, particularly near conical intersections. While classical methods are limited by scaling and…

A non-orthogonal multiple access (NOMA)-aided joint communication, sensing, and multi-tier computing (JCSMC) framework is proposed. In this framework, a multi-functional base station (BS) carries out target sensing, while providing edge…

Binary mixtures of Bose-Einstein condensates trapped in deep optical lattices and subjected to equal contributions of Rashba and Dresselhaus spin-orbit coupling (SOC), are investigated in the presence of a periodic time modulation of the…

In this study, we use Hubbard-Corrected density functional theory (DFT+$U$) to derive spin model Hamiltonians consisting of Heisenberg exchange interactions up to the fourth nearest neighbors and bi-quadratic interactions. We map the…

Understanding and controlling the transport properties of interacting fermions is a key forefront in quantum physics across a variety of experimental platforms. Motivated by recent experiments in 1D electron channels written on the…

CoO has an odd number of electrons in its unit cell, and therefore is expected to be metallic. Yet, CoO is strongly insulating owing to significant electronic correlations, thus classifying it as a Mott insulator. We investigate the…

We consider accelerated versions of the operator Sinkhorn iteration (OSI) for solving scaling problems for completely positive maps. Based on the interpretation of OSI as alternating fixed point iteration, it has been recently proposed to…

The $so(5)$ (i.e., $B_2$) quantum integrable spin chains with both periodic and non-diagonal boundaries are studied via the off-diagonal Bethe Ansatz method. By using the fusion technique, sufficient operator product identities (comparing…

This paper introduces two novel nonlinear stochastic attitude estimators developed on the Special Orthogonal Group \mathbb{SO}\left(3\right) with the tracking error of the normalized Euclidean distance meeting predefined transient and…

We use analytic (super-)conformal bootstrap methods to derive explicit expressions for the structure constants of $\mathcal{N}=1$ Liouville CFT in the `timelike' regime of the superconformal central charge. The obtained expressions take the…

Among the wealth of single fluorescent defects recently detected in silicon, the G center catches interest for its telecom single-photon emission that could be coupled to a metastable electron spin triplet. The G center is a unique defect…

We quantify the accuracy of different non-self-consistent and self-consistent spin-orbit coupling (SOC) treatments in Kohn-Sham and hybrid density-functional theory by providing a band structure benchmark set for the valence and low-lying…

A new scheme to calculate the exchange tensor $\underline{\underline{J}}_{ij}$ describing in a phenomenological way the anisotropic exchange coupling of two moments in a magnetically ordered system is presented. The ab-initio approach is…

This work proposes a computational multiscale method for the mixed formulation of a second-order linear elliptic equation subject to a homogeneous Neumann boundary condition, based on a stable localized orthogonal decomposition (LOD) in…

Density functional theory augmented with Hubbard-$U$ corrections (DFT+$U$) is currently one of the widely used methods for first-principles electronic structure modeling of insulating transition metal oxides (TMOs). Since $U$ is relatively…

Solid state quantum computing proposals rely on adiabatic operations of the exchange gate among localized spins in nanostructures. We study corrections to the Heisenberg interaction between lateral semiconductor quantum dots in an external…