Related papers: Spin-orbit coupling matrix elements from the expli…
We present a new model for the study of spin-orbit coupling in interacting quasi-one-dimensional systems and solve it exactly to find the spectral properties of such systems. We show that the combination of spin-orbit coupling and…
The essential role of synthetic spin-orbit coupling in discovering new topological matter phases with cold atoms is widely acknowledged. However, the engineering of spin-orbit coupling remains unclear for arbitrary-spin models due to the…
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 propose the multi-state complete-active-space second-order perturbation theory spin-orbit method (MS-CASPT2-SO) for electronic structure calculations. It is a two-step spin-orbit coupling method that does not make use of energy shifts…
We investigate the effects of spin-orbit coupling on the optical response of materials. In particular, we study the effects of the commutator between the spin-orbit coupling part of the potential and the position operator on the optical…
We propose a method for the emulation of artificial spin orbit coupling in a system of ultracold, neutral atoms trapped in a tight-binding lattice. This scheme does not involve near-resonant laser fields, avoiding the heating processes…
The tensorial form of the spin-other-orbit interaction operator in the formalism of second quantization is presented. Such an expression is needed to calculate both diagonal and off-diagonal matrix elements according to an approach, based…
Based on the tensor method, a q-analoque of the spin-orbit coupling is introduced in a q-deformed Schroedinger equation, previously derived for a central potential. Analytic expressions for the matrix elemnets of the representation j=l\pm…
We present a quantum linear response (qLR) approach within an active-space framework for computing indirect nuclear spin-spin coupling constants, a key ingredient in NMR spectra predictions. The method employs the unitary coupled cluster…
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…
We present a general methodology to evaluate matrix elements of the effective core potentials (ECPs) within one-electron basis set of Slater-type orbitals (STOs). The scheme is based on translation of individual STO distributions in the…
With octahedrally coordinated $t_{\rm 2g}$ orbitals which are active at filling $n=2$, the $\rm Sr_2CrO_4$ compound exhibits rich interplay of spin-orbital physics with tetragonal distortion induced crystal field tuning by external agent…
Account of an intrinsic spin-orbit coupling in the valence bands of common semiconductors yields the scalar spin-orbit-rotation term in the effective-mass Hamiltonian of the conduction-band electron. This result is obtained within the…
We study quantum spin systems in the 1D, 2D square and 3D cubic lattices with nearest-neighbour XY exchange. We use the coupled-cluster method (CCM) to calculate the ground-state energy, the T=0 sublattice magnetisation and the excited…
We describe a coupled cluster framework for coupled systems of electrons and phonons. Neutral and charged excitations are accessed via the equation-of-motion version of the theory. Benchmarks on the Hubbard-Holstein model allow us to assess…
We study the spin-orbit coupling in spin-triplet Cooper pairs and clarify multiple superconducting (SC) phases in Sr$_2$RuO$_4$. Based on the analysis of the three-orbital Hubbard model with atomic LS coupling, we show some selection rules…
A review of the coupled cluster method (CCM) applied to lattice quantum spin systems is presented here. The CCM formalism is explained and an application to the spin-half {\it XXZ} model on the square lattice is presented. Low orders of…
We propose to use the spin-orbit interaction as a means to control electron spins in quantum dots, enabling both single qubit and two qubit operations. Very fast single qubit operations may be achieved by temporarily displacing the…
Spin-orbital entanglement in quantum spin-orbital systems is quantified by a reduced von Neumann entropy, and is calculated for the ground state of a coupled spin-orbital chain with $SU(2)\times SU(2)$ symmetry. By analyzing the…
The paper studies spin-orbit interaction (i.e. the effect the spin has on the particle's trajectory in a magnetic field) as a model of quantum computation. The two-level spin quantum system is examined using the stochastic mechanics…