Related papers: Wronskian method and the Schr\"odinger eigenvalue …
Using the Wigner-Vlasov formalism, an exact 3D solution of the Schr\"odinger equation for a scalar particle in an electromagnetic field is constructed. Electric and magnetic fields are non-uniform. According to the exact expression for the…
As a proof of principle, self-consistent Kohn--Sham calculations are performed with the exact exchange-correlation functional. Finding the exact functional for even one trial density requires solving the interacting Schr\"odinger equation…
The Wave Function Matching (WFM) technique has recently been developed for the calculation of electronic transport in quantum two-probe systems. In terms of efficiency it is comparable with the widely used Green's function approach. The WFM…
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 report an exhaustive study of the performance of different variants of Green function methods for the spherium model in which two electrons are confined to the surface of a sphere and interact via a genuine long-range Coulomb operator.…
This paper systematically develops the Schr\"odinger formalism that is valid also for gyrotropic media where the material weights $W = \left ( \begin{smallmatrix} \varepsilon & \chi \chi^* & \mu \end{smallmatrix} \right ) \neq \overline{W}$…
We propose a hybrid approach which employs the dynamical mean-field theory (DMFT) self-energy for the correlated, typically rather localized orbitals and a conventional density functional theory (DFT) exchange-correlation potential for the…
In this work, we obtain the Schr\"odinger equation solutions for the Varshni potential using the Nikiforov-Uvarov method. The energy eigenvalues are obtained in non-relativistic regime. The corresponding eigenfunction is obtained in terms…
In this paper, we investigate the mean squared derivative cost functions that arise in various applications such as in motor control, biometrics and optimal transport theory. We provide qualitative properties, explicit analytical formulas…
We regard the real and imaginary parts of the Schrodinger wave function as canonical conjugate variables.With this pair of conjugate variables and some other 2n pairs, we construct a quadratic Hamiltonian density. We then show that the…
We have proposed a method for correcting the Kohn-Sham eigen energies in the density functional theory (DFT) based on the Koopmans theorem using Wannier functions. The method provides a general approach applicable for molecules and solids…
We study the homogenization of a stochastic Schr\"odinger equation with a large periodic potential in solid state physics. Denoting by $\varepsilon$ the period, the potential is scaled as $\varepsilon^{-2}$. Under a generic assumption on…
In this paper, the Schrodinger equation for s-wave and arbitrary angular momenta with the Modified Mobuis Square potential is investigated respectively. The eigenfunctions as well as energy eigenvalues are obtained in an exact analytical…
The electron states in axially symmetric quantum wires are computed by means of the effective-mass Schroedinger equation, which is written in cylindrical coordinates phi, rho, and z. We show that a direct discretization of the Schroedinger…
An approximation method, namely, the Extended Wronskian Determinant Approach, is suggested to study the one-dimensional Dirac equation. An integral equation which can be solved by iterative procedure to find the wave functions is…
A popular regularized (shrinkage) covariance estimator is the shrinkage sample covariance matrix (SCM) which shares the same set of eigenvectors as the SCM but shrinks its eigenvalues toward its grand mean. In this paper, a more general…
We propose a machine learning method to solve Schrodinger equations for a Hamiltonian that consists of an unperturbed Hamiltonian and a perturbation. We focus on the cases where the unperturbed Hamiltonian can be solved analytically or…
In this paper, we reformulate the semi-classical Schr\"odinger equation in the presence of electromagnetic field by the Gaussian wave packets transform. With this approach, the highly oscillatory Schr\"odinger equation is equivalently…
We introduce a parameter estimation method that utilizes microscopic data, specifically averages and correlations of selected microscopic observables, to determine the parameters of a stochastic differential equation governing…
We propose a numerical method for evaluating eigenvalues and eigenfunctions of Schr\"odinger operators with general confining potentials. The method is selective in the sense that only the eigenvalue closest to a chosen input energy is…