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“School of Nano-Sciences”

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Paper   IPM / Nano-Sciences / 11739
School of Nano Science
  Title:   Ground State Study of simple atoms within a nanoscale box
  Author(s): 
1 . Mahdi Neek-Amal
2 . G. Tayebirad
3 . M. Molayem
4 . Mohammad Ebrahim Fouladvand
5 . Afshin Namiranian
6 . L. Esmaeili-Sereshki
  Status:   Published
  Journal: Solid State Commun.
  No.:  11-12
  Vol.:  145
  Year:  2007
  Pages:   6
  Publisher(s):   Elsevier Ltd
  Supported by:  IPM
  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

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