Related papers: Dynamical pseudopotentials
For quantum systems with competing potentials, the conventional perturbation theory often yields an asymptotic series and the subsequent numerical outcome becomes uncertain. To tackle such kind of problems, we develop a general solution…
The pseudo-potential method is applied to derive diverse propagating electron hole structures, in a nonthermal or $\kappa$ particle distribution function background. The associated distribution function Ansatz reproduces the Schamel…
The simulation of transmission electron microscopy (TEM) images or diffraction patterns is often required to interpret their contrast and extract specimen features. This is especially true for high-resolution phase-contrast imaging of…
Self-energy-functional theory is a formal framework which allows to derive non-perturbative and thermodynamically consistent approximations for lattice models of strongly correlated electrons from a general dynamical variational principle.…
First-principles calculations have become a powerful tool to exclude the Edisonian approach in search of novel 2d materials. However, no universal first-principles criteria to examine the realizability of hypothetical 2d materials have been…
For one-dimensional Schroedinger operators with complex-valued potentials, we construct pseudomodes corresponding to large pseudoeigenvalues. Our (non-semi-classical) approach results in substantial progress in achieving optimal conditions…
The recently developed Deep Potential [Phys. Rev. Lett. 120, 143001, 2018] is a powerful method to represent general inter-atomic potentials using deep neural networks. The success of Deep Potential rests on the proper treatment of locality…
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…
We report on a theoreticl study of the electronic structure of quasiperiodic, quasi-one-dimensional systems where fully three dimensional interaction potentials are taken into account. In our approach, the actual physical potential acting…
Exploiting the framework of peridynamics, a dimensionally-reduced plate formulation is developed that allows for the through-thickness nucleation and growth of fracture surfaces, enabling the treatment of delamination in a lower-dimensional…
The Bel and Bel-Robinson tensors were introduced nearly fifty years ago in an attempt to generalize to gravitation the energy-momentum tensor of electromagnetism. This generalization was successful from the mathematical point of view…
In the last decades the Moore-Penrose pseudoinverse has found a wide range of applications in many areas of Science and became a useful tool for physicists dealing, for instance, with optimization problems, with data analysis, with the…
We describe a strategy for conversion of optical power into DC electrical power using resonant absorption in plasmonic nanostructures. A thermodynamic analysis of the underlying mechanism motivates our description of the phenomenon, which…
The theory of elastic light scattering by semiconductor quantum dots is suggested. The semiclassical method, applying retarded potentials to avoid the problem of bounder conditions for electric and magnetic field, is used. The exact results…
The kinetic energy (KE) kernel, which is defined as the second order functional derivative of the KE functional with respect to density, is the key ingredient to the construction of KE models for orbital free density functional theory…
Based on a semi-empirical generalized Anderson-Newns model we construct a pseudo-particle description for electron emission due to de-excitation of metastable molecules at surfaces. The pseudo-particle approach allows us to treat resonant…
In the previous canonical formulation of beam dynamics for an electron bunch moving ultrarelativistically through magnetic bending systems, we have shown that the transverse dynamics equation for a particle in the bunch has a driving term…
Self-potential (SP) data are of interest to vadose zone hydrology because of their direct sensitivity to water flow and ionic transport. There is unfortunately little consensus in the literature about how to best model SP data under…
Perhaps the simplest first-principles approach to electronic structure is to fit the charge distribution of each orbital pair and use those fits wherever they appear in the entire electron-electron (EE) interaction energy. The charge…
The evolution of single-particle energies with varying isospin asymmetry in the shell model is an important issue when predicting changes in the shell structure for exotic nuclei. In many cases pseudospin partner levels, that are almost…