相关论文: An analytic model of the stereodynamics of rotatio…
Molecular dynamics calculations of inelastic collisions of atomic oxygen with molecular nitrogen are known to show orders of magnitude discrepancies with experimental results in the range from room temperature to many thousands of degrees…
We calculate characteristic correlation functions for the Anderson model with additional phonon-assisted coupling to the odd conduction channel. This model describes, for example, the behavior of a molecule embedded between two electrodes…
Nonanalytic features are interesting in physics as they carry valuable information about the physical properties of the system. These properties manifest themselves in observables containing a one- or two-particle spectral function. In this…
The diffraction of fast atoms at crystal surfaces is ideal for a detailed investigation of the surface electronic density. However, instead of sharp diffraction spots, most experiments show elongated streaks characteristic of inelastic…
We introduce a novel point-particle effective description of ANO vortex solitons in the critical Abelian Higgs Model (AHM) in $d=2+1$ based on the small winding expansion. Identifying the effective vortices with the elementary quanta of a…
Experimental observations of multi-quantum relaxation of highly vibrationally excited NO scattering from Au(111) are a benchmark for the breakdown of Born-Oppenheimer approximation in molecule-surface systems. This remarkable vibrational…
We investigate the effects of a magnetic field on the dynamics of rotationally inelastic collisions of open-shell molecules ($^2\Sigma$, $^3\Sigma$, and $^2\Pi$) with closed-shell atoms. Our treatment makes use of the Fraunhofer model of…
A parameterization strategy for molecular models on the basis of force fields is proposed, which allows a rapid development of models for small molecules by using results from quantum mechanical (QM) ab initio calculations and thermodynamic…
We demonstrate how the technique of ultrafast resonant x-ray scattering can be applied to imaging dynamics of electronic wave packets in crystals. We study scattering patterns from crystals with electron dynamics in valence bands taking…
It has been observed empirically that two dimensional vortices tend to cluster forming a giant vortex. To account for this observation Onsager introduced a concept of negative absolute temperature in equilibrium statistical mechanics. In…
Stable organic radicals integrated into molecular junctions represent a practical realization of the single-orbital Anderson impurity model. Motivated by recent experiments for perchlorotriphenylmethyl (PTM) molecules contacted to gold…
We study polar molecule scattering in quasi-one-dimensional geometries. Elastic and reactive collision rates are computed as a function of collision energy and electric dipole moment for different confinement strengths. The numerical…
We describe an implementation of ab-initio methodology to compute inelastic shot noise signals due to electron-vibration scattering in nanoscale junctions. The method is based on the framework of non-equilibrium Keldysh Green's functions…
We consider a non-autonomous dynamical system formed by coupling two piecewise-smooth systems in $\RR^2$ through a non-autonomous periodic perturbation. We study the dynamics around one of the heteroclinic orbits of one of the…
We analyze a realistic microscopic model for electronic scattering with the neutral differential delay equations of motion of point charges of the Wheeler-Feynman electrodynamics. We propose a microscopic model according to the…
A theory is developed for the emission noise at frequency $\nu$ in a quantum dot in the presence of Coulomb interactions and asymmetric couplings to the reservoirs. We give an analytical expression for the noise in terms of the various…
In this work, we present a proof-of-concept investigation of non-equilibrium chemical reaction dynamics at a molecule-electrode interface, driven out of equilibrium by an applied votage bias and mediated by a confined, enhanced vacuum…
The three-wave resonant interaction equations are a non-dispersive system of partial differential equations with quadratic coupling describing the time evolution of the complex amplitudes of three resonant wave modes. Collisions of wave…
Acoustic waves in a linear time-invariant medium are generally reciprocal; however, reciprocity can break down in a time-variant system. In this Letter, we report on an experimental demonstration of nonreciprocity in a dynamic…
We analyse a nonadiabatic self-consistent field method by means of an exactly-solvable model. The method is based on nuclear and electronic orbitals that are functions of the cartesian coordinates in the laboratory-fixed frame. The kinetic…