The Thomas–Fermi–Scott–Schwinger expansion and the Schrödinger ground state energy of complex neutral atoms

The large Z Thomas–Fermi–Scott–Schwinger expansion for the total nonrelativistic binding energy of a neutral atom is used, together with the Bohr energy formula valid at Z=1, to construct various Padé approximants among which the two-point [3//3] approximant gives an overall improved representation...

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Bibliographic Details
Published in:The Journal of chemical physics 1982-01, Vol.77 (12), p.6131-6133
Main Authors: Aguilera-Navarro, V. C., de Llano, M., Rojo, O., Verardi, S. L. L.
Format: Article
Language:English
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Summary:The large Z Thomas–Fermi–Scott–Schwinger expansion for the total nonrelativistic binding energy of a neutral atom is used, together with the Bohr energy formula valid at Z=1, to construct various Padé approximants among which the two-point [3//3] approximant gives an overall improved representation for the energy for Z from 1 to 290, and very especially for the closed shell values Z=10, 18, 36, 54, 86, 118, 168, and 290. The presence of oscillatory terms for open shells in the large Z expansion is also confirmed.
ISSN:0021-9606
1089-7690
DOI:10.1063/1.443857