Related papers: Prediction of many-electron wavefunctions using at…
The bound states of a system consisting of two heavy identical atoms and one light electron interacting through the finite-range pairwise potentials are explored, focusing on their dependence on the electron-atom scattering length. In the…
The potential concept that is successful in classical electrodynamics should also be applicable to the nonlinear electromagnetic forces acting on matter. The obvious method of determining these potentials should be provided by Helmholtz's…
In the last few years the hydrodynamic formulation of quantum mechanics, equivalent to the Bohmian equations of motion, has been used to obtain numerical solutions of the Schrodinger equation. Problems, however, have been experienced near…
The article discusses how the pattern of elastic scattering of an electron on a pair of identical atomic spheres will look if we abandon the standard in the molecular physics assumption that, outside the molecular sphere, in the external…
The interaction between freely propagating electrons and light waves is typically described using an approximation in which we assume that the electron velocity remains approximately the same during the interaction. In this article we…
A solution of the scattering problem is obtained for the Schr\"odinger equation with the potential of induced dipole interaction, which decreases as the inverse square of the distance. Such a potential arises in the collision of an incident…
Exploratory variational pseudopotential density functional calculations are performed for the electronic properties of many-electron systems in the 3D cartesian coordinate grid (CCG). The atom-centered localized gaussian basis set,…
In this work, atomic calculations were performed within the local-density and generalized-gradient approximations of exchange and correlation density functionals within density-functional theory to provide accurate periodic trends of first…
We perform a fully quantum mechanical numerical calculation for the problem of a single electron (or excitation) propagating in a N-site one-dimensional chain in the presence of a single Holstein impurity. We compute the long-time averaged…
We use the Bohr-Sommerfeld quantization approach in the context of constituent quark models. This method provides, for the Cornell potential, analytical formulae for the energy spectra which closely approximate numerical exact calculations…
Scattering of electromagnetic (EM) waves by many small particles (bodies) embedded in a homogeneous medium is studied. Physical properties of the particles are described by their boundary impedances. The limiting equation is obtained for…
Wave/Schr\"{o}dinger equations with potentials naturally originates from both the quantum physics and the study of nonlinear equations. The distractive Coulomb potential is a quantum mechanical description of distractive Coulomb force…
We present numerically exact solutions to the full-dimensional Schrodinger Equation for the few-electron gas (few-EG) model of electronic structure theory. Our core methodology uses a Sum-of-Products (SOP) representation of singular…
The recent remarkable developments in quantum optics, mesoscopic and cold atom physics have given reality to wave functions. It is then interesting to explore the consequences of assuming ensembles over the wave functions simply related to…
We discuss a method based on a segmentary approximation of solutions of the Schr\"odinger by quadratic splines, for which the coefficients are determined by a variational method that does not require the resolution of complicated algebraic…
The electron density of a molecule or material has recently received major attention as a target quantity of machine-learning models. A natural choice to construct a model that yields transferable and linear-scaling predictions is to…
We present a machine learning algorithm for the prediction of molecule properties inspired by ideas from density functional theory. Using Gaussian-type orbital functions, we create surrogate electronic densities of the molecule from which…
We prove that the effective low-energy, nonlinear Schroedinger equation for a particle in the presence of a quasiperiodic potential is the potential-free, nonlinear Schroedinger equation on noncommutative space. Thus quasiperiodicity of the…
At the basis of much of computational chemistry is density functional theory, as initiated by the Hohenberg-Kohn theorem. The theorem states that, when nuclei are fixed, nuclear potentials are determined by $1$-electron densities. We recast…
We study the polarization of an electron scattered by different static potentials. The initial state of the electron is chosen as a wavepacket to construct the definite orbital angular momentum, and the final polarization of the electron,…