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Exact solution of Schrodinger equation for the pseudoharmonic potential is obtained for an arbitrary angular momentum. The energy eigenvalues and corresponding eigenfunctions are calculated by Nikiforov-Uvarov method. Wavefunctions are…
Double core-hole (DCH) spectroscopy is investigated systematically for neon atomic system in the interaction with ultraintense x-ray pulses with photon energy from 937 eV to 2000 eV. A time-dependent rate equation, implemented in the…
The Fourier component of the potential energy of interaction of an atom with an atom is represented as a polynomial of the fourth degree from the atomic form factor. A numerical calculation was performed for the atomic form factor in the…
We present analytically the exact energy bound-states solutions of the Schrodinger equation in $D$-dimensions for a pseudoharmonic potential plus ring-shaped potential of the form $V(r,\theta)=D_{e}(\frac{r}{% r_{e}}-\frac{r_{e}}{r})…
We introduce an orbital-optimized double-hybrid (DH) scheme using the optimized-effective-potential (OEP) method. The orbitals are optimized using a local potential corresponding to the complete exchange-correlation energy expression…
The asymptotic iteration method is used to find exact and approximate solutions of Schroedinger's equation for a number of one-dimensional trigonometric potentials (sine-squared, double-cosine, tangent-squared, and complex cotangent).…
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 compute the energy spectrum of the ground state of a 2D Dirac electron in the presence of a Coulomb potential and a constant magnetic field perpendicular to the plane where the the electron is confined. With the help of a mixed-basis…
This paper presents an accurate highly efficient method for solving the bound states in the one-dimensional Schr\"odinger equation with an arbitrary potential. We show that the bound state energies of a general potential well can be…
Statistics of many particle energy levels of a finite two-dimensional system of interacting electrons is numerically studied. It is shown that the statistics of these levels undergoes a Poisson to Wigner crossover as the strength of the…
We study the spherical quantum pseudodots in the Schrodinger equation using the pseudo-harmonic plus harmonic oscillator potentials considering the effect of the external electric and magnetic fields. The finite energy levels and the wave…
We present an analysis of the two-dimensional Schrodinger equation for two electrons interacting via Coulombic force and confined in an anizotropic harmonic potential. The separable case of wy = 2wx is studied particularly carefully. The…
We use computer simulation to investigate the topology of the potential energy $V(\{{\bf R}\})$ and to search for doublewell potential's (DWP) in a model glass . By a sequence of Newtonian and dissipative dynamics we find different minima…
We introduce a basis set consisting of three-dimensional Deslauriers--Dubuc wavelets and solve numerically the Schr\"odinger equations of H and He atoms and molecules $\mathrm{H}_2$, $\mathrm{H}_2^+$, and $\mathrm{LiH}$ with HF and DFT…
We report results on the effect of a non-sharp and disordered potential in Quantum Well Infrared Photodetectors (QWIP). Scanning electronic transmission microscopy is used to measure the alloy profile of the structure which is shown to…
Two-dimensional (2D) spectroscopy uses multiple electromagnetic pulses to infer the properties of a complex system. A paradigmatic class of target systems are molecular aggregates, for which one can obtain information on the eigenstates,…
Starting from the semi-classical spectrum of Schr\"odinger operators $-h^2\Delta+V$ (on $\mathbb{R}^n$ or on a Riemannian manifold) it is possible to detect critical levels of the potential $V$. Via micro-local methods one can express…
We present a simple exact analytical solution, using the Weyl-Titchmarsh-Kodaira spectral theorem, for the spectral function of the one-dimensional diatomic molecule model consisting of two attractive delta function wells in the presence of…
The hybrid form is a combination of the Rydberg potential and the London inverse-sixth-power energy. It is accurate at all relevant distance scales and simple enough for use in all-atom simulations of biomolecules. One may compute the…
We study the energy properties of a particle in one dimensional semi-harmonic rectangular wells and barriers. The integration of energies is obtained by solving a simple transcendental equation. Scattering states are shown to include cases…