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Semi-statistical model for electron densities in positive and negative ions

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Abstract

Electron density for ions from a semi-statistical model has been obtained and used to calculate the potential at the nucleus and the diamagnetic susceptibility. We have taken the quantum mechanical density close to the nucleus and have matched it with the statistical density at some distancer 0. The electron density is found to be finite close to the nucleus and exponentially decreasing at large distances. Moreover, the kinetic energy density goes to zero close to nucleus in agreement with the Hartree-Fock (HF) result. The potential at the nucleus converges and is in fair agreement with the HF value. The diamagnetic susceptibility increases with increasing atomic number.

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Shah, S., Srivastava, M.P. Semi-statistical model for electron densities in positive and negative ions. Appl. Phys. 15, 103–109 (1978). https://doi.org/10.1007/BF00896899

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  • DOI: https://doi.org/10.1007/BF00896899

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