Electron density and its derivatives at the nucleus for spherically confined hydrogen atom

It is shown that the energy of a hydrogen-like atom confined inside a spherical cavity of radius, R, and potential barrier, V0, is quantitatively defined by the ratio . Here, the conventional spherical density (r) is scaled as ηl(r) = and the ratio of the second derivative η(r) to ηl(r) is evaluated at the nucleus. Numerical results of the ratios are presented for 1s, 2s, 2p, and 3d states at several values of V0. For such states, the characteristic radii of confinement leading to the well-defined values of energy are identified. © 2008 Wiley Periodicals, Inc. Int J Quantum Chem, 2009

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