Related papers: The multi-state CASPT2 spin-orbit method
We study a two-dimensional (2D) electron system with a linear spectrum in the presence of Rashba spin-orbit (RSO) coupling in the hydrodynamic regime. We derive a semiclassical Boltzmann equation with a collision integral due to Coulomb…
We propose a Monte Carlo based method for simulating the open system dynamics of multiple exchange-only (EO) qubits. In the EO encoding, the total spin projection quantum number along the $z$-axis of the three constituent spins remains…
Spin-orbit coupling links a particle's velocity to its quantum mechanical spin, and is essential in numerous condensed matter phenomena, including topological insulators and Majorana fermions. In solid-state materials, spin-orbit coupling…
Spin-orbit (SO) coupling -- the interaction between a quantum particle's spin and its momentum -- is ubiquitous in nature, from atoms to solids. In condensed matter systems, SO coupling is crucial for the spin-Hall effect and topological…
The performance of correlated optimized effective potential (OEP) functionals based on the spin-resolved second-order correlation energy is analyzed. The relative importance of singly- and doubly- excited contributions as well as the effect…
We propose a scheme for engineering compressed spatial states in a two-dimensional parabolic potential with a spin-orbit coupling by selective spin measurements. This sequence of measurements results in a coordinate-dependent density matrix…
We present second-order molecular cluster perturbation theory (MCPT(2)), a linear scaling methodology to calculate arbitrarily large systems with explicit calculation of individual wavefunctions in a coupled-cluster framework. This new…
We compute the spin-orbit torque in a transition metal heterostructure using Slater-Koster parameterization in the two-center tight-binding approximation and accounting for d-orbitals only. In this method, the spin-orbit coupling is modeled…
Constructive methods for controlling a coupled, two spin system via bounded amplitude, piecewise sinusoidal fields are provided. The fields are incident at the alrmor frequencies and take one of two phase values
We propose a method for the evaluation of magnetic exchange couplings based on noncollinear spin-density functional calculations. The method employs the second derivative of the total Kohn-Sham energy of a single reference state, in…
Achieving full control of a Bose-Einstein condensate can have valuable applications in metrology, quantum information processing, and quantum condensed matter physics. We propose protocols to simultaneously control the internal (related to…
We reformulate the full quantum dynamics of spin systems using a phase space representation based on SU(2) coherent states which generates an exact mapping of the dynamics of any spin system onto a set of stochastic differential equations.…
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…
We report the direct observation of interband spin-orbit (SO) coupling in a two-dimensional (2D) surface electron system, in addition to the anticipated Rashba spin splitting. Using angle-resolved photoemission experiments and…
We discuss pairing of light-matter bosons under effective spin-orbit (SO) coupling in two-dimensional semiconductors. The SO coupling is shown to induce dynamical broadening of a two-body bound state. Application of a transverse magnetic…
Without resorting to spin-spin coupling, we propose a scalable spin quantum computing scheme assisted with a semiconductor multiple-quantum-dot structure. The techniques of single electron transitions and the nanostructure of quantum-dot…
To reconstruct a mixed or pure quantum state of a spin s is possible through coherent states: its density matrix is fixed by the probabilities to measure the value s along 4s(s+1) appropriately chosen directions in space. Thus, after…
We propose two different schemes for second-order perturbation theory with spin-projected Hartree-Fock. Both schemes employ the same ansatz for the first-order wave function, which is a linear combination of spin-projected configurations.…
We present an accurate method for calculating hyperfine coupling constants (HFCCs) based on the complete active space second-order perturbation theory (CASPT2) with full internal contraction. The HFCCs are computed as a first-order property…
We propose a new mechanism for the paramagnetic metal-insulator transition in the layered perovskite Ca$_{2-x}$Sr$_{x}$RuO$_{4}$ (0<x<0.2). The LDA+U approach including spin-orbit coupling is used to calculate the electronic structures. In…