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New bounds for the atomic charge and momentum densities at the origin

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Zeitschrift für Physik D Atoms, Molecules and Clusters

Abstract

The “Stieltjes moment problem” technique together with the positivity and monotonic decreasing properties of the electronic density of an atom is used to find new and more accurate lower bounds for the charge density at the nucleus and the momentum density at the origin, in terms of radial and momentum expectation values, respectively. Bounds depending on two and three expectation values are given explicitly and a Hartree-Fock study of their quality is carried out. Also, the behavior of the new bounds at largeZ's is discussed. The Stieltjes technique allows to find lower bounds of better accuracy by including expectation values of higher order.

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References

  1. Otten, E.W.: Nuclear radii and moments of unstable isotopes. In: Treatise on heavy ion physics, Vol. 8. Bromley, D.A. (ed.). New York: Plenum Press 1987

    Google Scholar 

  2. Gálvez, F.J., Dehesa, J.S.: Phys. Rev. A37, 3154 (1988)

    Google Scholar 

  3. Gálvez, F.J., Porras, I., Angulo, J.C., Dehesa, J.S.: J. Phys. B: At. Mol. Phys.21, L271 (1988)

  4. Hoffmann-Ostenhof, M., Hoffmann-Ostenhof, T., Thirring, W.: J. Phys. B: At. Mol. Phys.11, L571 (1978)

  5. Cioslowski, J.: Phys. Rev. A39, 378 (1989)

    Google Scholar 

  6. Sperber, G.: Int. J. Quantum Chem.5, 189 (1971)

    Google Scholar 

  7. Weinstein, H., Politzer, P., Srebrenik, S.: Theor. Chim. Acta38, 159 (1975)

    Google Scholar 

  8. Simas, A.M., Sagar, R.P., Ku, A.C.T., Smith Jr., V.H.: Can. J. Chem.66, 1923 (1988)

    Google Scholar 

  9. Angulo J.C.: Master thesis in Physics. Granada: University of Granada (Spain) 1989

    Google Scholar 

  10. Gálvez, F.J.: Phys. Rev. A39, 501 (1989)

    Google Scholar 

  11. Shohat, J., Tamarkin, J.: The problem of moments. New York: American Mathematical Society 1943

    Google Scholar 

  12. Clementi, E., Roetti, C.: At. Data Nucl. Data Tables14, 177 (1974)

    Google Scholar 

  13. Boyd, R.J.: Can. J. Phys.55, 452 (1977)

    Google Scholar 

  14. Gadre, S.R., Gejji, S.P., Chakravorty, S.J.: At. Data Nucl. Data Tables28, 477 (1983)

    Google Scholar 

  15. Dmitrieva, I.K., Plindov, G.I.: Z. Phys. A — Atomic Nuclei305, 103 (1982)

    Google Scholar 

  16. Benesch R, Smith Jr., V.H.: Density matrix methods in X-ray scattering and momentum space calculations. In: Wave mechanics: the first fifty years. Price, W.C., Chissick, S.S., Ravensdale, T. (eds.). London: Butterworths 1973

    Google Scholar 

  17. Thakkar, A.J.: J. Chem. Phys.86, 5060 (1987)

    Google Scholar 

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Authors and Affiliations

  1. Departamento de Física Moderna, Facultad de Ciencias, Universidad de Granada, E-18071, Granada, Spain

    J. C. Angulo, J. S. Dehesa & F. J. Galvez

Authors
  1. J. C. Angulo
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  2. J. S. Dehesa
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  3. F. J. Galvez
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Angulo, J.C., Dehesa, J.S. & Galvez, F.J. New bounds for the atomic charge and momentum densities at the origin. Z Phys D - Atoms, Molecules and Clusters 18, 127–130 (1991). https://doi.org/10.1007/BF01437436

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  • DOI: https://doi.org/10.1007/BF01437436

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