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

A method to realize controllable inversion of energy levels in a one-dimensional spin-orbit (SO)-coupled two-component Bose-Einstein condensate under the action of a gradient magnetic field and harmonic-oscillator (HO) trapping potential is…

To explore the formation of noncollinear magnetic configurations in materials with strongly correlated electrons, we derive a noncollinear LSDA+$U$ model involving only one parameter $U$, as opposed to the difference between the Hubbard and…

Employing first-principles electronic structure calculations in conjunction with the frozen-magnon method we study the effective exchange interactions and spin waves in local moment ferromagnets. As prototypes we have chosen three…

Using the covariant spectator theory (CST), we present two one boson exchange kernels that have been successfully adjusted to fit the 2007 world np data (containing 3788 data) below 350 MeV. One model (which we designate WJC-1) has 27…

Can superconducting order be engineered as a robust attractor of open-system dynamics in strongly correlated systems? We demonstrate this possibility by proposing a minimal dissipation-engineering protocol for the particle-hole symmetric…

In this paper, which constitutes the first part of the series, we consider calculation of two-centre Coulomb and hybrid integrals over Slater-type orbitals (STOs). General formulae for these integrals are derived with no restrictions on the…

We derive an automatic procedure for generating a set of highly localized, non-orthogonal orbitals for linear scaling quantum Monte Carlo calculations. We demonstrate the advantage of these orbitals in calculations of the total energy of…

This work proposes and studies numerical schemes for initial value problems of Hamilton--Jacobi equations (HJEs) with a graph individual noise on the Wasserstein space on graphs. Numerically solving such equations is particularly…

Previous theoretical studies [W. Cho, C. Platt, R. H. McKenzie, and S. Raghu, Phys. Rev. B 92, 134514 (2015); N. Lera and J. V. Alvarez, Phys. Rev. B 92, 174523 (2015)] have suggested that Li$_{0.9}$Mo$_6$O$_{17}$, a quasi-one dimensional…

An experimental proposal for realizing spin-orbit (SO) coupling of pseudospin-1 in the ground manifold $^1\Sigma(\upsilon=0)$ of (bosonic) bialkali polar molecules is presented. The three spin components are composed of the ground…

Strong spin-orbit coupling (SOC) effects of heavy $d$-orbital elements have long been neglected in describing the ground states of their compounds thereby overlooking a variety of fascinating and yet unexplored magnetic and electronic…

Reliable computational methodologies and basis sets for modeling x-ray spectra are essential for extracting and interpreting electronic and structural information from experimental x-ray spectra. In particular, the trade-off between…

Using the combination of a new effective Hamiltonian approach and hybrid Monte-Carlo simulations, we unveil a variety of partially magnetically ordered (PMO) phases in the Kondo lattice model. Our approximation is motivated by two crucial…

We show that the stochastic Schr\"odinger equation (SSE) provides an ideal way to simulate the quantum mechanical spin dynamics of radical pairs. Electron spin relaxation effects arising from fluctuations in the spin Hamiltonian are…

We demonstrate the emergence of the non-Abelian geometric potentials and thus the three-dimensional (3D) spin-orbit coupling (SOC) for ultracold atoms without using the laser beams. This is achieved by subjecting an atom to a periodic…

Spin-orbit torques (SOTs) have emerged as an efficient means to electrically control the magnetization in ferromagnetic heterostructures. Lately, an increasing attention has been devoted to SOTs in heavy metal (HM)/magnetic insulator (MI)…

The S66x8 noncovalent interactions benchmark has been re-evaluated at the "sterling silver" level, using explicitly correlated MP2-F12 near the complete basis set limit, CCSD(F12*)/aug-cc-pVTZ-F12, and a (T) correction from conventional…

Spin-orbit coupling (SOC) is a relativistic effect, where an electron moving in an electric field experiences an effective magnetic field in its rest frame. In crystals without inversion symmetry, it lifts the spin degeneracy and leads to…

Exchange-only (EO) qubits, implemented in triple-quantum-dot systems, offer a compelling platform for scalable semiconductor-based quantum computing by enabling universal control through purely exchange interactions. While high-fidelity…

This paper studies the control-oriented identification problem of set-valued moving average systems with uniform persistent excitations and observation noises. A stochastic approximation-based (SA-based) algorithm without projections or…