Related papers: Configuration Interaction Singles with Spin-Orbit …
Motivated by the $\Omega$-spectrum proposal of unique gapped ground states by Kitaev, we study adiabatic cycles in gapped quantum spin systems from various perspectives. We give a few exactly solvable models in one and two spatial…
Liquid He-4 is free from magnetic defects, making it an ideal substrate for electrons with long-lived spin states. Such states can serve as qubit states. Here we consider the spin states of electrons electrostatically localized in quantum…
For the cofactor-free 1-H-3-hydroxy-4-oxoquinaldine-2,4-dioxygenase (HOD), the dioxygen (O2) dependent steps are rate-limiting along with a spin state crossover to the singlet spin state. Here, the primary triplet O2 molecule activation on…
Laser-cooled and trapped atomic ions form an ideal standard for the simulation of interacting quantum spin models. Effective spins are represented by appropriate internal energy levels within each ion, and the spins can be measured with…
Beyond the adiabatic regime, our understanding of quantum dynamics in coupled systems remains limited, and the choice of representation continues to obscure physical interpretation and simulation accuracy. Here we propose a natural and…
In this paper a formalism for studying the dynamics of quantum systems coupled to classical spin environments is reviewed. The theory is based on generalized antisymmetric brackets and naturally predicts open-path off-diagonal geometric…
The ground state of atoms from H to Ar was calculated using a self-interaction correction to local and gradient dependent density functionals. The correction can significantly improve the total energy and makes the orbital energies…
We develop a scheme of fast forward of adiabatic spin dynamics of quantum entangled states. We settle the quasi-adiabatic dynamics by adding the regularization terms to the original Hamiltonian and then accelerate it with use of a large…
It is well known that any cyclic solution of a spin 1/2 neutral particle moving in an arbitrary magnetic field has a nonadiabatic geometric phase proportional to the solid angle subtended by the trace of the spin. For neutral particles with…
Spin-orbit coupling (SOC) is an essential ingredient in topological materials, conventional and quantum-gas based alike.~Engineered spin-orbit coupling in ultracold atom systems --unique in their experimental control and measurement…
Surface hopping algorithms are popular tools to study dynamics of the quantum-classical mixed systems. In this paper, we propose a surface hopping algorithm in diabatic representations, based on time dependent perturbation theory and…
Employing the $\mathbf{k}\cdot\mathbf{p}$ expansion for a family of tight-binding models for SmB$_6$, we analytically compute topological surface states on a generic $(lmn)$ surface. We show how the Dirac-cone spin structure depends on…
We investigate a simple and robust scheme for choosing the phases of adiabatic electronic states smoothly (as a function of geometry) so as to maximize the performance of ab initio non-adiabatic dynamics methods. Our approach is based upon…
We investigate dissipative phase transitions in an open central spin system. In our model the central spin interacts coherently with the surrounding many-particle spin environment and is subject to coherent driving and dissipation. We…
Engineered spin-orbit coupling (SOC) in cold atom systems can aid in the study of novel synthetic materials and complex condensed matter phenomena. Despite great advances, alkali atom SOC systems are hindered by heating from spontaneous…
We propose a new protocol for preparing spin squeezed states in controllable atomic, molecular, and optical systems, with particular relevance to emerging optical clock platforms compatible with Rydberg interactions. By combining a…
Recently, spin selection rules have been invoked to explain the discrepancy between measured and calculated adsorption probabilities of molecular oxygen reacting with Al(111). In this work, we inspect the impact of nonadiabatic spin…
Quantum spin networks having engineered geometries and interactions are eagerly pursued for quantum simulation and access to emergent quantum phenomena such as spin liquids. Spin-1/2 centers are particularly desirable because they readily…
The binding energies of the ground states and several excited states related to single-particle and -hole states in nuclei around ^{16}O are calculated taking charge dependence into account. Effective interactions on the particle basis are…
We explore nonadiabatic quantum phase transitions in an Ising spin chain with a linearly time-dependent transverse field and two different spins per unit cell. Such a spin system passes through critical points with gapless excitations,…