Related papers: Envelope function method for electrons in slowly-v…
For a given many-electron molecule, it is possible to define a corresponding one-electron Schr\"odinger equation, using potentials derived from simple atomic densities, whose solution predicts fairly accurate molecular orbitals for single-…
We proposed a distributed approximating functional method for efficiently describing the electronic dynamics in atoms and molecules in the presence of the Coulomb singularities, using the kernel of a grid representation derived by using the…
We study a semi-classical Schr{\"o}dinger equation which describes the dynamics of an electron in a crystal in the presence of impurities. It is well-known that under suitable assumptions on the initial data, the wave function can be…
The Schr\"odinger equation and Bloch theorem are applied to examine a system of protons confined within a periodic potential, accounting for deviations from ideal harmonic behavior due to real-world conditions like truncated and…
The pseudospectral method is a powerful tool for finding highly precise solutions of Schr\"{o}dinger's equation for few-electron problems. We extend the method's scope to wave functions with non-zero angular momentum and test it on several…
We consider stationary and propagating solutions for a Bose-Einstein condensate in a periodic optical potential with an additional confining optical or magnetic potential. Using an effective mass approximation we express the condensate…
For a given many-electron molecule, it is possible to define a corresponding one-electron Schr\"odinger equation, using potentials derived from simple atomic densities, whose solution predicts fairly accurate molecular orbitals for single-…
Wave functions and electron potentials of laterally-confined surface states are determined experimentally by means of photoemission from stepped Au(111) surfaces. Using an iterative formalism borrowed from x-ray diffraction, we retrieve the…
A one-electron Schroedinger equation based on special one-electron potentials for atoms is shown to exist that produces orbitals for an arbitrary molecule that are sufficiently accurate to be used without modification to construct single-…
Single-particle resonance parameters and wave functions in spherical and deformed nuclei are determined through analytic continuation in the potential strength. In this method, the analyticity of the eigenvalues and eigenfunctions of the…
The approximation of the eigenvalues and eigenfunctions of an elliptic operator is a key computational task in many areas of applied mathematics and computational physics. An important case, especially in quantum physics, is the computation…
In this article, we study numerical approximation of eigenvalue problems of the Schr\"{o}dinger operator $\displaystyle -\Delta u + \frac{c^2}{|x|^2}u$. There are three stages in our investigation: We start from a ball of any dimension, in…
We consider a model of an electron in a crystal moving under the influence of an external electric field: Schr\"{o}dinger's equation with a potential which is the sum of a periodic function and a general smooth function. We identify two…
We present a new numerical method for accurate computations of solutions to (linear) one dimensional Schr\"odinger equations with periodic potentials. This is a prominent model in solid state physics where we also allow for perturbations by…
An envelope function approach is used to study the wave propagation in a one-dimensional Photonic Crystal containing single negative layers. This approach enables one to obtain the analytic expressions of the parameters of an equivalent…
We study a Schr{\"o}dinger equation modeling the dynamics of an electron in a crystal in the asymptotic regime of small wavelength comparable to the characteristic scale of the crystal. Using Floquet Bloch decomposition, we obtain a…
We derive analytical solutions based on singular Green's functions, which enable efficient computations of scattering simulations or Floquet-Bloch dispersion relations for waves propagating through an elastic plate, whose surface is…
New method for ab initio calculations of the properties of large size system based on phase-amplitude functional is presented. It is shown that Schrodinger equation for many electrons complex system including large size molecules, or…
We theoretically study the elastic deformation of a fluid membrane induced by an adhering spherical colloidal particle within the framework of a Helfrich energy. Based on a full optimization of the membrane shape we find a continuous…
We propose a system of real-space envelope function equations without fitting parameters for modeling the electronic spectrum and wave functions of a phosphorus donor atom embedded in silicon. The approach relies on the Burt-Foreman…