Related papers: Incorporating non-adiabatic effects in Embedded At…
To understand the recently observed mysterious non-adiabatic energy transfer for hyperthermal H atom scattering from a semiconductor surface, Ge(111)c(2*8), we present a mixed quantum-classical non-adiabatic molecular dynamics model based…
Entanglement distribution between trapped-atom quantum memories, viz. single atoms in optical cavities, is addressed. In most scenarios, the rate of entanglement distribution depends on the efficiency with which the state of traveling…
Heating of trapped ion clouds by interactions with free electrons crossing the trapping potential was observed. A model describing such process was proposed and discussed. The presented approach predicts two effects: pushing and heating of…
A novel embedded atom method (EAM) potential for the Xi-phases of Al-Pd-Mn has been determined with the force-matching method. Different combinations of analytic functions were tested for the pair and transfer part. The best results are…
Polar molecules in selected quantum states can be guided, decelerated and trapped using electric fields created by microstructured electrodes on a chip. Here we explore how non-adiabatic transitions between levels in which the molecules are…
Nonadiabatic transitions are known to be major loss channels for atoms in magnetic traps, but have thus far not been experimentally reported upon for trapped molecules. We have observed and quantified losses due to nonadiabatic transitions…
The holy grail of ion-neutral systems is reaching the s-wave scattering regime. However, most of these systems have a fundamental lower collision energy limit which is higher than this s-wave regime. This limit arises from the…
We construct a fully self-consistent non-equilibrium theory for the dynamics of two interacting finite-temperature atomic Bose-Einstein condensates. The condensates are described by dissipative Gross-Pitaevskii equations, coupled to quantum…
We theoretically study trapped ions that are immersed in an ultracold gas of Rydberg-dressed atoms. By off-resonant coupling on a dipole-forbidden transition, the adiabatic atom-ion potential can be made repulsive. We study the energy…
Diffraction phenomena usually can be formulated in terms of a potential that induces the redistribution of a wave's momentum. Using an atomic Bose-Einstein condensate coupled to the orbitals of a state-selective optical lattice, we…
A first-principles coupled electron-nuclear dynamics simulation based on real-time, time-dependent density functional theory and Ehrenfest dynamics quantitatively repro-duces bimodal translational energy loss and angular distributions…
The point defect thermodynamics in a general family of binary compounds, including B2 compounds as a specific representative, are classified by way of two non-trivial energy parameters. The scheme is applied to published ab initio defect…
The embedded atom method (EAM) potentials are probably the most widely used interatomic potentials for metals and alloys. However, the EAM potentials impose three constraints on elastic constants that are inconsistent with experiments. At a…
During a crossover via a switching mechanism from one 2-body potential to another as might be applied in modeling (chemical) reactions in the vicinity of bond formation, energy violations would occur due to finite step size which determines…
We have studied the behavior of cold Rydberg atoms embedded in an ultracold plasma. We demonstrate that even deeply bound Rydberg atoms are completely ionized in such an environment, due to electron collisions. Using a fast pulse extraction…
We generalize the decay cascade model of charge capture statistics for a tunable-barrier non-adiabatic electron pump dominated by the backtunneling error at the quantum dot decoupling stage. The energy scales controlling the competition…
We formulate the theory for a diatomic molecule in a spatially degenerate electronic state interacting with a non-resonant laser field and investigate its rovibrational structure in the presence of the field. We report on \textit{ab initio}…
Temperature gradients drive asymmetric ion distributions via thermodiffusion (the Soret effect), leading to deviations from the classical Debye--H\"uckel potential.We introduce the Eastman entropy of transfer, $\hat{S}_\pm = \alpha_\pm…
Under sufficiently high electric field gradients, electron behaviour within exactly perpendicular shocks is unstable to the so-called trajectory instability. We extend previous work paying special attention to shortiscale, high amplitude…
While dark transitions made bright by molecular motions determine the optoelectronic properties of many materials, simulating such non-Condon effects in condensed-phase spectroscopy remains a fundamental challenge. We derive a Gaussian…