Related papers: Zero-Field Splitting Parameters from Four-Componen…
We incorporate explicit, non-perturbative treatment of spin-orbit coupling into ab initio auxiliary-field quantum Monte Carlo (AFQMC) calculations. The approach allows a general computational framework for molecular and bulk systems in…
In this work we present a coupled cluster based approach to the computation of the spin orbit coupling matrix elements. The working expressions are derived from the quadratic response function with the coupled cluster parametrization, using…
Seeking for a relativistic generalisation of the non-relativistic Schroedinger equation, one very soon arrives at equations with a square-root operator by having applied the quantum mechanical correspondence principle to the formula of…
We present an in-depth study of the spin-orbit (SO) interactions occurring in inversion-asymmetric two-dimensional hole gases at semiconductor heterointerfaces. We focus on common semiconductors such as GaAs, InAs, InSb, Ge, and Si. We…
Recently, a diffusion Monte Carlo algorithm was applied to the study of spin dependent interactions in condensed matter. Following some of the ideas presented therein, and applied to a Hamiltonian containing a Rashba-like interaction, a…
Energy spectrum fine structure of triplet two-electron states is investigated theoretically. Spin-orbit interaction induced terms in the effective Hamiltonian of electron-electron interaction are derived for zinc-blende lattice…
We investigate non-linear transport signatures stemming from linear and cubic spin-orbit interactions in one- and two-dimensional systems. The analytical zero-temperature response to external fields is complemented by finite temperature…
We study the ground state of $N$ weakly interacting electrons (with $N\le 10$) in a two-dimensional parabolic quantum dot with strong Rashba spin-orbit coupling. Using dimensionless parameters for the Coulomb interaction, $\lambda\lesssim…
The electronic states of a parabolic quantum dot in a magnetic field are studied with the inclusion of the spin-orbit interaction. The analitycal formulae for the ground state energy of the interacting system are derived. The spin-orbit…
The presence of spin-orbit coupling or non-collinear magnetic spin states can have dramatic effects on the ground-state and spectral properties of materials, in particular on the band structure. Here, we develop non-collinear…
Materials utilized by novel energy systems are often studied using weakly correlated mean-field theories. However, if these systems incorporate heavy elements, relativistic effects must be included. Therefore a Kramers unrestricted Coupled…
We constructed a symplectic realization of the dynamic structure of two interacting spin-two fields in three dimensions. A significant simplification refers to the treatment of constraints: instead of performing a Hamiltonian analysis…
We present an efficient implementation of a one-step relativistic second-order multireference perturbation theory based on the multireference driven similarity renormalization group (MR-DSRG) using the exact two-component (X2C) Hamiltonian,…
We construct the symmetry adapted low energy effective Hamiltonian for the electronic states in the vicinity of the Fermi level in iron based superconductors. We use Luttinger's method of invariants, expanding about Gamma and M points in…
The (group and spin space) matrix Hamiltonian describing the dynamics of a nonrelativistic spin 1/2 particle moving in a static, but spatially dependent, non-Abelian magnetic field in two spatial dimensions is shown to take the form of an…
Rashba spin splitting in two-dimensional (2D) semiconductor systems is generally calculated in a ${\bf k} \cdot {\bf p}$ Luttinger-Kohn approach where the spin splitting due to asymmetry emerges naturally from the bulk band structure. In…
We discuss the calculation of crystal field splittings using Wannier functions and show how the ligand field contributions can be separated from the bare Coulomb contribution to the crystal field by constructing sets of Wannier functions…
Spin-orbit coupling (SOC) is incorporated into the phaseless plane-wave-based auxiliary-field quantum Monte Carlo (pw-AFQMC) method. This integration is implemented using optimized multiple-projector norm-conserving pseudopotentials, which…
Recently, synthetic spin-orbit coupling has been introduced into cold-atom systems for more flexible control of the Hamiltonian, which was further made time-varying through two-photon detuning to achieve dynamic control of the cold-atom…
An adaptation of the full configuration interaction quantum Monte Carlo (FCIQMC) method is presented, for correlated electron problems containing heavy elements and the presence of significant relativistic effects. The modified algorithm…