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Potential energy surfaces of electron dynamics (ePES) are constructed from a model of localized electron wave packets (eWP) with non-orthogonal valence-bond (VB) spin coupling and applied to quantum dynamics simulations of high harmonic…
In this work, we apply the parametric Nikiforov-Uvarov method to obtain eigen solutions and total normalized wave function of Schr\"odinger equation express in terms of Jacobi polynomial using Coulomb plus Screened Exponential Hyperbolic…
This is a follow-up of our recently proposed work on pseudopotential calculation (Ref. [21]) of atoms and molecules within DFT framework, using cartesian coordinate grid. Detailed results are presented to demonstrate the usefulness,…
Few-photon induced breakup of helium is studied using a newly developed ab initio numerical framework for solving the six-dimensional time-dependent Schroedinger equation. We present details of the method and calculate (generalized) cross…
The Schrodinger equation for the rotational-vibrational (ro-vibrational) motion of a diatomic molecule with empirical potential functions is solved approximately by means of the Nikiforov-Uvarov method. The approximate ro-vibratinal energy…
This article introduces a new signal analysis method. The main idea consists in interpreting a pulse-shaped signal, after multiplying it by a positive parameter, as a potential of a Schr\"odinger operator and representing this signal with…
The method of potential envelopes is used to analyse the bound-state spectrum of the Schroedinger Hamiltonian H = -Delta -v/(r+b), where v and b are positive. We established simple formulas yielding upper and lower energy bounds for all the…
We solve the Schr\"odinger equation with a position-dependent mass (PDM) charged particle interacted via the superposition of the Morse and Coulomb potentials and exposed to external magnetic and Aharonov-Bohm (AB) flux fields. The…
In this article we discuss a procedure to solve the one dimensional (1D) Schroedinger Equation for a periodic potential, which may be well suited to teach band structure theory. The procedure is conceptually very simple, so that it may be…
We discuss a method of solving the time dependent Schrodinger equation for atoms with two active electrons in a strong laser field, which we used in a previous paper [A. Scrinzi and B. Piraux, Phys. Rev. A 56, R13 (1997)] to calculate…
Double photo-electron momentum spectra of the Helium atom are calculated \textit{ab initio} at extreme ultra-violet and near infrared wavelengths. At short wavelengths two-photon double ionization yields, two-electron energy spectra, and…
The approximate bound state solutions of the Schrodinger equation with shifted Deng-Fan potential was obtained via proper quantization rule. The energy spectra for the homogenous diatomic molecules (H2, I2); the heterogeneous diatomic…
We present a fully analytic approach for evaluating boundary integrals in two dimensions for Smoothed Particle Hydrodynamics (SPH). Conventional methods often rely on boundary particles or wall re-normalization approaches derived from…
We introduce a computational method developed for study of long-range molecular Rydberg states of such systems that can be approximated by two electrons in a model potential of the atomic cores. Only diatomic molecules are considered. The…
The trigonometric P\"oschl-Teller (PT) potential describes the diatomic molecular vibration. By using the Nikiforov-Uvarov (NU) method, we have obtained the exact analytical s-wave solutions of the radial Schr\"odinger equation (SE) for the…
In the framework of dielectric theory the static non-local self-energy of an electron near an ultra-thin polarizable layer has been calculated and applied to study binding energies of image-states near free-standing graphene. The…
We derive analytic expressions of the recursive solutions to the Schr\"{o}dinger's equation by means of a cutoff potential technique for one-dimensional piecewise constant potentials. These solutions provide a method for accurately…
The experimental data on elastic and inelastic scattering of 270 MeV 3He particles to several low lying states in 90Zr, 116Sn and 208Pb are analyzed within the double folding model (DFM). Fermi density distribution (FDD) of target nuclei is…
Triple-differential cross sections for two-photon double ionization of molecular hydrogen are presented for a central photon energy of 30 eV. The calculations are based on a fully {\it ab initio}, nonperturbative, approach to the…
In this paper, a quantum dot mathematical model based on a two-dimensional Schr\"odinger equation assuming the 1/r inter-electronic potential is revisited. Generally, it is argued that the solutions of this model obtained by solving a…