Ground state study of simple atoms within a nano-scale box
Other Condensed Matter
2009-11-13 v1
Abstract
Ground state energies for confined hydrogen (H) and helium (He) atoms, inside a penetrable/impenetrable compartment have been calculated using Diffusion Monte Carlo (DMC) method. Specifically, we have investigated spherical and ellipsoidal encompassing compartments of a few nanometer size. The potential is held fixed at a constant value on the surface of the compartment and beyond. The dependence of ground state energy on the geometrical characteristics of the compartment as well as the potential value on its surface has been thoroughly explored. In addition, we have investigated the cases where the nucleus location is off the geometrical centre of the compartment.
Cite
@article{arxiv.0804.4839,
title = {Ground state study of simple atoms within a nano-scale box},
author = {M. Neek-Amal and G. Tayebirad and M. Molayem and M. E. Foulaadvand and L. Esmaeili Sereshki and A. Namiranian},
journal= {arXiv preprint arXiv:0804.4839},
year = {2009}
}
Comments
9 pages, 5 eps figures, Revtex