相关论文: Spin-Polarized Extended Lagrangian Born-Oppenheime…

A formalism for describing relativistic ponderomotive effects, which occur in the dynamics of an electron driven by a focused relativisticaly intense optical envelope, is established on the basis of a rigorous asymptotic expansion of the…

We propose a robust approach to spin squeezing with local interactions that approaches the Heisenberg limit of phase sensitivity. To generate the requisite entanglement, we generalize the paradigmatic two-axis countertwisting Hamiltonian --…

Spin-polarized electron beam sources enable studies of spin-dependent electric and magnetic effects at the nanoscale. We propose a method of creating spin-polarized electrons on an integrated photonics chip by laser driven nanophotonic…

Considering the effective Euler-Heisenberg Lagrangian, i.e., non-linear photon-photon interactions, we study the circular polarization of electromagnetic radiation based on the time-evolution of Stokes parameters. To the leading order, we…

Lieb and Oxford (1981) derived rigorous lower bounds, in the form of local functionals of the electron density, on the indirect part of the Coulomb repulsion energy. The greatest lower bound for a given electron number N depends…

We present the general kinetic formalism for the description of spin and energy relaxation of the cavity polaritons in the framework of the Born-Markov approximation. All essential mechanisms of polaritons redistribution in reciprocal space…

Understanding the spin dynamics in low-temperature settings is crucial to designing and optimizing molecular spin systems for use in emerging quantum technologies. At low temperatures, irreversible loss occurs due to ensemble dynamics…

We present a hybrid quantum-classical simulation of charge-polaron transport in conjugated polymers. The charge, which couples to the angular rotations of the monomers, is modeled via the time-dependent Schr\"odinger equation, while the…

The break-down of the Born-Oppenheimer approximation is an important topic in chemical dynamics on metal surfaces. In this context, the most frequently used "work-horse" is electronic friction theory, commonly relying on friction…

Electronic friction and Langevin dynamics is a popular mixed quantum-classical method for simulating the nonadiabatic dynamics of molecules interacting with metal surfaces, as it can be computationally more efficient than fully quantum…

In Born-Oppenheimer molecular dynamics (BOMD) simulations based on density functional theory (DFT), the potential energy and the interatomic forces are calculated from an electronic ground state density that is determined by an iterative…

We perform entanglement of spin and motional degrees of freedom of a single, ground-state trapped ion through the application of a $16$ ps laser pulse. The duration of the interaction is significantly shorter than both the motional…

In this article, we generalize the theory of discrete Lagrangian mechanics and variational integrators in two principal directions. First, we show that Lagrangian submanifolds of symplectic groupoids give rise to discrete dynamical systems,…

We introduce a framework to investigate ab-initio the dynamics of rare thermally activated reactions. The electronic degrees of freedom are described at the quantum-mechanical level in the Born-Oppenheimer approximation, while the nuclear…

Molecular exciton polaritons are hybrid states resulting from the strong coupling of molecular electronic excitations with an optical cavity mode, presenting a promising approach for controlling photophysical and photochemical properties in…

We evaluate the charge and longitudinal spin response functions of a two-dimensional electron gas with $e^2/r$ interactions in an arbitrary state of spin polarization, using a structurally self-consistent approach to treat exchange and…

Molecular dynamics simulation is used to investigate the crystallization of a classical two-dimensional electron system, in which electrons interact with the Coulomb repulsion. From the positional and the orientational correlation…

We propose an efficient basis expansion for electron orbitals to describe real-time electron dynamics in crystalline solids. Although a conventional grid representation in the three-dimensional Cartesian coordinates works robustly, it…

In closed quantum systems, Krylov complexity admits a geometric description; operator growth is equivalent to Hamiltonian flow in an emergent phase space whose structure is fixed by the Lanczos coefficients. We show that this picture…

We apply the Wigner function formalism to derive drift-diffusion transport equations for spin-polarized electrons in a III-V semiconductor single quantum well. Electron spin dynamics is controlled by the linear in momentum spin-orbit…