Related papers: The multi-state CASPT2 spin-orbit method
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,…
A system of bosons in a two-dimensional harmonic trap in the presence of Rashba-type spin-orbit coupling is investigated. An analytic treatment of the ground state of a single atom in the weak-coupling regime is presented and used as a…
The influence of spin-orbit coupling in two-dimensional systems is investigated within the framework of the Landauer-Buettiker coherent scattering formalism. This formalism usually deals with spin-independent stationary states and,…
We describe the implementation of total angular momentum dependent pseudopotentials in a plane wave formulation of density functional theory. Our approach thus goes beyond the scalar-relativistic approximation usually made in ab initio…
We introduce an energy functional for ground-state electronic structure calculations. Its variables are the natural spin-orbitals of singlet many-body wave functions and their joint occupation probabilities deriving from controlled…
Excited-state methods within the nuclear--electronic orbital (NEO) framework have the potential to capture vibrational, electronic, and vibronic transitions in a single calculation. In the NEO approach, specified nuclei, typically protons,…
The presence of spin-orbit coupling drives the anomalous magnetotransport at oxide interfaces and forms the basis for numerous intriguing properties of these 2D electron systems, such as topologically protected phases or anti-localization.…
Two-electron charged self-assembled quantum dot molecules exhibit a decoherence-avoiding singlet-triplet qubit subspace and an efficient spin-photon interface. Here, we demonstrate that the cycling transitions originating from auxiliary…
We study the decay behaviors of ultracold atoms in metastable states with spin-orbit coupling (SOC), and demonstrate that there are two SOC-induced decay mechanisms. One arises from the trapping potential and the other is due to interatomic…
Synthetic spin-orbit coupling in cold atoms couples the pseudo-spin and spatial degrees of freedom, and therefore the inherent spin symmetry of the system plays an important role. In systems of two pseudo-spin degrees, two particles contain…
We demonstrate the formation of stable spatially-ordered states in a {\it uniform} and also {\it trapped} quasi-two-dimensional (quasi-2D) Rashba or Dresselhaus spin-orbit (SO) coupled pseudo spin-1/2 Bose-Einstein condensate using the…
We present an advanced $\textit{ab initio}$ quantum Monte Carlo (QMC) calculation of the ground state of undoped CaCuO$_2$. We extend the traditional single-determinant Slater-Jastrow approach to include multi-determinant wave functions,…
Most nonrelativistic electron correlation methods can be adapted to account for relativistic effects, as long as the relativistic molecular spinor integrals are available, from either a four-, two-, or one-component mean-field calculation.…
We propose a computational method that simplifies drastically the inclusion of spin-orbit interaction in density functional theory implemented on localised atomic orbital basis sets. Our method is based on a well-known procedure for…
Using the non-equilibrium Green's function technique, we calculate spin-orbit torques in a Mn$_2$Au/heavy-metal bilayer, where the heavy metal (HM) is W or Pt. Spin-orbit coupling (SOC) in the bulk of Mn$_2$Au generates strong fieldlike…
We report the realization of a robust and highly controllable two-dimensional (2D) spin-orbit (SO) coupling with topological non-trivial band structure. By applying a retro-reflected 2D optical lattice, phase tunable Raman couplings are…
We proposed and demonstrated a new approach for realizing spin orbit coupling with ultracold atoms. We use orbital levels in a double well potential as pseudospin states. Two-photon Raman transitions between left and right wells induce…
In a trapped spin-1/2 Bose-Einstein condensate with miscible interactions, a two-dimensional spin-orbit coupling can introduce an unconventional spatial separation between the two components. We reveal the physical mechanism of such a…
We present a simple but efficient geometrical method for determining the inert states of spin-S systems. It can be used if the system is described by a spin vector of a spin-S particle and its energy is invariant in spin rotations and phase…
In our Solar system, spin-orbit coupling is a common phenomenon in binary asteroid systems, where the mutual orbits are no longer invariant due to exchange of angular momentum between translation and rotation. In this work, dynamical…