Related papers: Photodetachment dynamics using nonlocal dicrete-st…
The dispersive optical model (DOM) is employed to simultaneously describe elastic nucleon scattering data for ${}^{40}$Ca, ${}^{48}$Ca, and ${}^{208}$Pb as well as observables related to the ground state of these nuclei, with emphasis on…
We analyze the entanglement between electronic and nuclear motions in molecular wave functions, by using different widely used ansatzes in molecular Hamiltonian models (H$^+_2$ in 1D and the Shin-Metiu model); namely, i) Born-Oppenheimer…
We present a coupled atomistic-continuum method for the modeling of defects and interface dynamics of crystalline materials. The method uses atomistic models such as molecular dynamics near defects and interfaces, and continuum models away…
An approach to correlated dynamics of quantum nuclei and electrons both in dynamical interaction with external environments is presented. This stochastic quantum molecular dynamics rests on a theorem that establishes a one-to-one…
The account of electron correlation and its efficient separation into dynamic and nondynamic parts plays a key role in the development of computational methods. In this paper we suggest a physically-sound matrix formulation to split…
The model of gas-discharge nonneutral electron plasma has been considered, in which the electron density is limited by non-linear processes initiated by diocotron instability and it does not depend on the mechanism of electron transport…
We derive a rigorous theory of the interaction between photons and spatially extended excitons confined in quantum dots in inhomogeneous photonic materials. We show that, beyond the dipole approximation, the radiative decay rate is…
Exposing a molecule to intense light pulses may bring this molecule to a nonstationary quantum state, thus launching correlated dynamics of electronic and nuclear subsystems. Although much had been achieved in the understanding of…
Out-of-equilibrium electron-gas systems exhibit rich physics, which we explore through three problems. First, we study photoemission from metals, traditionally analyzed in the frequency domain. Unexpectedly, the photoemission rate…
Scattering of photons at an atom with a dynamical nucleus is studied on the subspace of states of the system with a total energy below the threshold for ionization of the atom (Rayleigh scattering). The kinematics of the electron and the…
We propose dynamical collapse models in which the stochastic collapse terms affect only photons and/or gravitons. In principle, isolated systems comprising only massive particles could evolve unitarily indefinitely in such models. In…
A recently introduced particle-based model for fluid dynamics with continuous velocities is generalized to model fluids with excluded volume effects. This is achieved through the use of biased stochastic multi-particle collisions which…
Radio-frequency-driven atmospheric pressure plasma jets (RF APPJs) play an essential role in many technological applications. This work studies the characteristics of these discharges in the so-called non-neutral regime where the…
Nuclear mean-field models are briefly reviewed to illustrate its foundation and necessity of state dependence in effective interactions. This state dependence is successfully taken into account by the density dependence, leading to the…
The problem of noninteracting electrons in the presence of annealed magnetic disorder, in addition to nonmagnetic quenched disorder, is considered. It is shown that the proper physical interpretation of this model is one of electrons…
We, based on the photoassociation of fermion atoms into bosonic molecules, propose a scheme to create the steady entanglement between the atom state and the molecule state inside an optical lattice. The stability of entanglement state is…
Euler-Poincare equations are derived for the dynamical folding of charged molecular strands (such as DNA) modeled as flexible continuous filamentary distributions of interacting rigid charge conformations. The new feature is that the…
This review describes the theory and implementation of implicit solvation models based on continuum electrostatics. Within quantum chemistry this formalism is sometimes synonymous with the polarizable continuum model, a particular…
We develop a purely hydrodynamic formalism to describe collisional, anisotropic instabilities in a relativistic plasma, that are usually described with kinetic theory tools. Our main motivation is the fact that coarse-grained models of high…
We present a novel method for the simulation of the vibration-induced autoionization dynamics in molecular anions in the framework of the quantum-classical surface hopping approach. Classical trajectories starting from quantum initial…