Related papers: Born Oppenheimer Dynamics Near Metal Surfaces
We derive an explicit form for the electronic friction as felt by a molecule near a metal surface for the general case that molecule-metal couplings depend on nuclear coordinates. Our work generalizes a previous study by von Oppen et al…
Mixing two chemical elements at the surface of a substrate is known to produce rich phase diagrams of surface alloys. Here, we extend the concept of surface alloying to the case where the two constituent elements are not both atoms, but…
We develop a mixed quantum-classical framework, dubbed the Moving Born-Oppenheimer Approximation (MBOA), to describe the dynamics of slow degrees of freedom (DOFs) coupled to fast ones. As in the Born-Oppenheimer Approximation (BOA), the…
We discuss some of the challenges that future nuclear modeling may face in order to improve the description of the nuclear structure. One challenge is related to the need for A-body nuclear interactions justified by various contemporary…
We present a new method which combines Car-Parrinello and Born-Oppenheimer molecular dynamics in order to accelerate density functional theory based ab-initio simulations. Depending on the system a gain in efficiency of one to two orders of…
The combination of a powerful and broadly applicable nuclear hyperpolarization technique with emerging (near-)zero-field modalities offer novel opportunities in a broad range of nuclear magnetic resonance spectroscopy and imaging…
The case for a future high-energy collider based on muon beams is briefly reviewed.
The integration of functional molecules onto conductive or dielectric surfaces represents a promising avenue for employing molecule-centric technologies, encompassing sensor development, electrochromic, and the facilitation of charge and…
Recent experiments (R. A. Baragiola and C. A. Dukes, Phys. Rev. Lett. {\bf 76}, 2547 (1996)) with slow ions incident at grazing angle on metal surfaces have shown that bulk plasmons are excited under conditions where the ions do not…
We study a general problem of the translational/rotational/vibrational/electronic dynamics of a diatomic molecule exposed to an interaction with an arbitrary external electromagnetic field. The theory developed in this paper is relevant to…
Octupole excitations of atomic nuclei can be viewed as fluctuations around an equilibrium shape. These fluctuations in turn can be seen as probes of nuclear matter properties to the extent that the shape changes explore changes in…
This article discusses applications of Bayesian machine learning for quantum molecular dynamics. One particular formulation of quantum dynamics advocated here is in the form of a machine learning simulator of the Schr\"{o}dinger equation.…
Vacuum breakdowns in particle accelerators and other devices operating at high electric fields is a common problem in the operation of these devices. It has been proposed that the onset of vacuum breakdowns is associated with appearance of…
The interaction of a bulk electron with conducting surfaces is studied by means of Bohm-Pines transformation in the second quantization formalism. The effective interaction potentials are obtained for the case of one plane and two plane…
Photothermal surface bubbles play important roles in a wide range of applications like catalysis, microfluidics and biosensing, but their formation on a transparent substrate immersed in a plasmonic nanoparticle (NP) suspension has an…
Developable surfaces are commonly observed in various applications such as architecture, product design, manufacturing, mechanical materials, and data physicalization as well as in the development of tangible interaction and deformable…
Boron phosphide (BP) is a (super)hard semiconductor constituted of light elements, which is promising for high demand applications at extreme conditions. The behavior of BP at high temperatures and pressures is of special interest but is…
The energy spectrum, atom-dimer scattering length, and atom-trimer scattering length for systems of three and four ultracold atoms with $\delta$-function interactions in one dimension are presented as a function of the relative mass ratio…
The behavior of nuclear matter is studied at low densities and temperatures using classical molecular dynamics with three different sets of potentials with different compressibility. Nuclear matter is found to arrange in crystalline…
We demonstrate a combined magneto-optical trap and imaging system that is suitable for the investigation of cold atoms near surfaces. In particular, we are able to trap atoms close to optically scattering surfaces and to image them with an…