Related papers: Modeling Spin-Dependent Nonadiabatic Dynamics with…
We develop an adiabatic quantum simulation framework on gate-based quantum computers to probe topological signatures of the one-dimensional fermionic Su--Schrieffer--Heeger--Hubbard (SSHH) model. We present explicit quantum-circuit…
The substrate-adsorbate interaction can significantly influence the adsorbate's electronic structure, stability, reactivity, and topological properties. In this study, we investigate the emergence of non-Hermitian physics in the…
We present an approach for carrying out non-adiabatic molecular dynamics simulations of systems in which non-adiabatic transitions arise from the coupling between the classical atomic motions and a quasi-continuum of electronic quantum…
We have used variational states to analyze the effects of band geometry on the two-dimensional Wigner crystal with one and two electrons per unit cell. At sufficiently low electron densities, we find that increasing Berry curvature drives a…
Non-Hermitian systems have attracted much interest in recent decades, driven partly by the existence of exotic spectral singularities, known as exceptional points (EPs), where the dimensionality of the system evolution operator is reduced.…
An approach to the quantum-classical mechanics of phase space dependent operators, which has been proposed recently, is remodeled as a formalism for wave fields. Such wave fields obey a system of coupled non-linear equations that can be…
In this work, a novel ring polymer representation for multi-level quantum system is proposed for thermal average calculations. The proposed presentation keeps the discreteness of the electronic states: besides position and momentum, each…
We develop a multi-state generalisation of the recently proposed mapping approach to surface hopping (MASH) for the simulation of electronically nonadiabatic dynamics. This new approach extends the original MASH method to be able to treat…
We consider an implementation of the adiabatic spin dynamics approach in a tight-binding description of the electronic structure. The adiabatic approximation for spin-degrees of freedom assumes that the faster electronic degrees of freedom…
We study quantum dynamics of Grover's adiabatic search algorithm with the equivalent two-level system. Its adiabatic and non-adiabatic evolutions are visualized as trajectories of Bloch vectors on a Bloch sphere. We find the change in the…
A theoretical justification of the empirical surface hopping method for the laser-driven molecular dynamics is given utilizing the formalism of the exact factorization of the molecular wavefunction [Abedi et al., PRL $\textbf{105}$, 123002…
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…
Non-Hermitian quantum systems, characterized by their ability to model open systems with gain and loss, have unveiled striking phenomena such as the non-Hermitian skin effect (NHSE), where eigenstates localize at boundaries under open…
We systematically characterize the dynamical evolution of time-parity (PT )-symmetric two-level systems with spin-dependent dissipations. If the control parameters of the gap are linearly tuned with time, the dynamical evolution can be…
We propose a Berry phase effect on the chiral degrees of freedom of a triangular magnetic molecule. The phase is induced by adiabatically varying an external electric field in the plane of the molecule via a spin-electric coupling mechanism…
Symmetry breaking has been a central theme in classifying quantum phases and phase transitions. Recently, this concept has been extended to the mixed states of open systems, attracting considerable attention due to the emergence of novel…
Collisions of atoms and molecules with metal surfaces create electronic excitations in the metal, leading to nonadiabatic energy dissipation, inelastic scattering, and sticking. Mixed quantum-classical molecular dynamics simulation methods,…
We consider a two-level system coupled to a highly non-Markovian environment when the coupling axis rotates with time. The environment may be quantum (for example a bosonic bath or a spin bath) or classical (such as classical noise). We…
We have evaluated hyperfine-induced electron spin dynamics for two electrons confined to a double quantum dot. Our quantum solution accounts for decay of a singlet-triplet correlator even in the presence of a fully static nuclear spin…
We present an adaptive variational quantum algorithm to estimate the Berry phase accumulated by a nondegenerate ground state under cyclic, adiabatic evolution of a time-dependent Hamiltonian. Our method leverages cyclic adiabatic evolution…