Related papers: Spin-Orbit Induced Non-Adiabatic Dynamics: An Exac…
Chemical relaxation phenomena, including photochemistry and electron transfer processes, form a vigorous area of research in which nonadiabatic dynamics plays a fundamental role. Here, we show that for nonadiabatic dynamics with two…
We propose to measure the importance of spin-orbit couplings (SOCs) in the nonadiabatic molecular quantum dynamics rigorously with quantum fidelity. To make the criterion practical, quantum fidelity is estimated efficiently with the…
In this work, the quantum phase transition in the sub-Ohmic spin-boson model is studied using a single-mode approximation, by combining the rotating wave transformation and the transformations used in the numerical renormalization group…
For future use in modeling photoexcited dynamics and intersystem crossing, we calculate spin-adiabatic states and their analytical nuclear gradients within CIS the- ory. These energies and forces should be immediately useful for surface…
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…
We propose a trajectory-based method for simulating nonadiabatic dynamics in molecular systems with two coupled electronic states. Employing a quantum-mechanically exact mapping of the two-level problem to a spin-1/2 coherent state, we…
The techniques of shortcuts to adiabaticity have been proposed to accelerate the "slow" adiabatic processes in various quantum systems with the applications in quantum information processing. In this paper, we study the counter-diabatic…
An exact analytical solution is derived for the wavefunction of an electron in a one-dimensional moving quantum dot in a nanowire, in the presence of time-dependent spin-orbit coupling. For cyclic evolutions we show that the spin of the…
The holonomic manipulation of spin-orbital degenerate states, encoded in the Kramers doublet of narrow semiconducting channels with spin-orbit interaction, is shown to be intimately intertwined with the geometrical shape of the…
High control in the preparation and manipulation of states is an experimental and theoretical important task in many quantum protocols. Shortcuts to adiabaticity methods allow to obtain desirable states of a adiabatic dynamics but in short…
Spin-squeezed states are metrologically useful quantum states where entanglement allows for enhanced sensing with respect to the standard quantum limit. Key challenges include the efficient preparation of spin-squeezed states and the…
The cross section and rate constants for the title reaction are calculated for all the spin-orbit states of N$^+$($^3P_{J_A}$) using two statistical approaches, one purely adiabatic and the other one mixing quantum capture for the entrance…
Nonadiabatic ab initio molecular dynamics (MD) including spin-orbit coupling (SOC) and laser fields is investigated as a general tool for studies of excited-state processes. Up to now, SOCs are not included in standard ab initio MD…
Diabatization of the molecular Hamiltonian is a standard approach to removing the singularities of nonadiabatic couplings at conical intersections of adiabatic potential energy surfaces. In general, it is impossible to eliminate the…
We introduce and investigate an effective five-band model for $t_{2g}$ and $e_g$ electrons to describe doped cobalt oxides with Co$^{3+}$ and Co$^{4+}$ ions in two-dimensional CoO$_2$ triangular lattice layers, as in Na$_{1-x}$CoO$_2$. The…
We investigate the correlation effects on spin-orbit coupling (SOC) in a two-orbital Hubbard model on a square lattice by applying the variational Monte Carlo method. We consider an effective SOC constant $\lambda_{\text{eff}}$ in the…
We present the theory for the evaluation of non-adiabatic couplings (NACs) involving resonance states within the complex absorbing potential equation-of-motion coupled-cluster (CAP-EOM-CC) framework implemented within the singles and…
An exact solution is derived for the wave function of an electron in a semiconductor quantum wire with spin-orbit interaction and driven by external time dependent harmonic confining potential. The formalism allows analytical expressions…
We derive an effective Hamiltonian which describes the dynamics of electrons in the conduction band of transition metal dichalcogenides (TMDC) in the presence of perpendicular electric and magnetic fields. We discuss in detail both the…
Adiabatic elimination is a standard tool in quantum optics, which produces an effective Hamiltonian for a relevant subspace of states, incorporating effects of its coupling to states with much higher unperturbed energy. It shares with…