In this article, we propose an alternate approach to study confined two-electron systems using the modified form of the Le Sech wavefunction. In the present approach, rather than using the cut-off factor in the variational wavefunction, we determine it directly by solving Schr & ouml;dinger like equation. The results for kinetic energies, electron-nucleus interaction, electron-electron interaction, total energies, densities, ionization energies, and moments of confined H-\documentclass[12pt]{minimal} \usepackage{amsmath} \usepackage{wasysym} \usepackage{amsfonts} \usepackage{amssymb} \usepackage{amsbsy} \usepackage{mathrsfs} \usepackage{upgreek} \setlength{\oddsidemargin}{-69pt} \begin{document}$$\hbox {H}<^>-$$\end{document} and He atom are compared with the most accurate values found in the literature to show the effectiveness of our method. The present approach applies to a wide range of confinement potentials. We demonstrate it by showing the results for Coulomb, harmonic oscillator, and soft-confinement potentials.
机构:
Univ Wisconsin, Dept Chem, Madison, WI 53706 USA
Univ Wisconsin, Inst Theoret Chem, Madison, WI 53706 USAUniv Wisconsin, Dept Chem, Madison, WI 53706 USA