Thomas-Fermi revisited: The outer regions of the atom
- 1 November 1982
- journal article
- research article
- Published by American Physical Society (APS) in Physical Review A
- Vol. 26 (5) , 2322-2329
- https://doi.org/10.1103/physreva.26.2322
Abstract
The consequences of exchange and the first quantum kinetic-energy correction are extrapolated outward in the statistical atom, up to a sharp boundary. Possible locations of that boundary are considered, and two are tested in the context of the diamagnetic susceptibility of neutral and ionized atoms with closed-shell configurations. The comparisons with experimental values and with Hartree-Fock (HF) calculations are reasonably successful, favoring one of the boundary options. An appendix presents, for neutral-atom energies, the detailed comparison between the HF calculations at integer values and the continuous curve of the statistical theory, with its known coefficients of , , and . The deviation between the two oscillates smoothly, with decreasing amplitude and lengthening period as increases; there is no striking evidence of shell structure. An asymmetry between positive and negative deviations suggests an additional, small multiple of . It produces agreement between the statistical and HF calculations to better than 0.1%, for .
Keywords
This publication has 10 references indexed in Scilit:
- New Thomas-Fermi theory: A testPhysical Review A, 1982
- Thomas-Fermi model: The second correctionPhysical Review A, 1981
- Thomas-fermi and related theories of atoms and moleculesReviews of Modern Physics, 1981
- Remarks on the existence and accuracy of theexpansion of the nonrelativistic ground-state energy of a neutral atomPhysical Review A, 1981
- Truncated expansion of the ground-state energy of a neutral atom in powers of Z-1/3: coefficients of the leading termsJournal of Physics B: Atomic, Molecular and Optical Physics, 1981
- Thomas-Fermi model: The leading correctionPhysical Review A, 1980
- Relativistic Dirac-Fock expectation values for atoms with Z = 1 to Z = 120Atomic Data and Nuclear Data Tables, 1973
- LXXXII. The binding energy of the Thomas-Fermi AtomJournal of Computers in Education, 1952
- Die Statistische Theorie des Atoms und ihre AnwendungenPublished by Springer Nature ,1949
- The diamagnetic susceptibilities of salts forming ions with inert gas configurationsProceedings of the Royal Society of London. Series A. Mathematical and Physical Sciences, 1937