Related papers: Vibrational Dynamics within the Embedded-Atom-Meth…
With advanced fabrication techniques it is possible to make nanoscale electronic structures that have discrete energy levels. Such structures are called artificial atoms because of analogy with true atoms. Examples of such atoms are quantum…
Point-form relativistic quantum mechanics is used to derive an expression for the electromagnetic form factor of a pseudoscalar meson for space-like momentum transfers. The elastic scattering of an electron by a confined quark-antiquark…
A strength function method is adopted to describe a coupling between electric and magnetic modes of different multipolarity. The collective vibrations are analysed for a separable residual interaction in the framework of the random-phase…
We describe a fast implementation of the quasi-centroid molecular dynamics (QCMD) method in which the quasi-centroid potential of mean force is approximated as a separable correction to the classical interaction potential. This correction…
The assumptions underpinning the adiabatic Born-Oppenheimer (BO) approximation are broken for molecules interacting with attosecond laser pulses, which generate complicated coupled electronic-nuclear wavepackets that generally will have…
A time-dependent vibrational electronic coupled-cluster (VECC) approach is proposed to simulate photoelectron/ UV-VIS absorption spectra, as well as time-dependent properties for non-adiabatic vibronic models, going beyond the…
We propose an extension of the Ellipsoidal-Statistical BGK model to account for discrete levels of vibrational energy in a rarefied polyatomic gas. This model satisfies an H-theorem and contains parameters that allow to fit almost arbitrary…
We propose two models of the Boltzmann equation (BGK and Fokker-Planck models) for rarefied flows of diatomic gases in vibrational non-equilibrium. These models take into account the discrete repartition of vibration energy modes, which is…
We consider the the van der Waals force involving excited atoms in general environments, constituted by magnetodielectric bodies. We develop a dynamical approach studying the dynamics of the atoms and the field, mutually coupled. When only…
A description of the dynamical response of uniformly trapped Bose-Einstein condensates (BECs) to oscillating external gravitational fields is developed, with the inclusion of damping. Two different effects that can lead to the creation of…
We construct an analytic continuum model to describe the electronic structure and the electron-phonon interaction in twisted bilayer graphenes with arbitrary lattice deformation. Starting from the tight-binding model, we derive the…
We compute lattice dynamical properties of iron at the bcc-fcc phase transition using dynamical mean-field theory implemented with the frozen-phonon method. Electronic correlations are found to have a strong effect on the lattice stability…
A general procedure to investigate the elastic response and calculate the elastic constants of stressed and unstressed materials through continuum field modeling, particularly the phase field crystal (PFC) models, is presented. It is found…
The kaon electromagnetic (e.m.) form factor is reviewed considering a light-front constituent quark model. In this approach, it is discussed the relevance of the quark-antiquark pair terms for the full covariance of the e.m. current. It is…
Vibrational density of states of a classical two-dimensional electron system obtained with a molecular-dynamics simulation is shown to have a peak in both solid and liquid phases. From an exact diagonalisation of the dynamical matrix, the…
In a cold atom gas subject to a 2D spin-dependent optical lattice potential with hexagonal symmetry, trapped atoms undergo orbital motion around the potential minima. Such atoms are elementary quantum rotors. We develop the theory of such…
A set of Modified Embedded Atom Method (MEAM) potentials for the interactions between Al, Si, Mg, Cu, and Fe was developed from a combination of each element's MEAM potential in order to study metal alloying. Previously published MEAM…
An improved measurement of the electron electric dipole moment (EDM) appears feasible using ground-state alkali atoms in an atomic fountain in which a strong electric field, which couples to a conceivable electron dipole moment (EDM), is…
We have developed an all particle Fock-space relativistic coupled-cluster method for two-valence atomic systems. We then describe a scheme to employ the coupled-cluster wave function to calculate atomic properties. Based on these…
A simple, yet efficient procedure to solve quasistatic problems of special linear visco-elastic solids at small strains with equal rheological response in all tensorial components, utilizing boundary element method (BEM), is introduced.…