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On the Constitution of Metallic Sodium. II
Abstract
The present work represents an extension to a previous development by the same authors, on the theory of metallic sodium. In the first part of this paper a completely self-consistent solution of Fock's equations for the sodium lattice is carried through indirectly, this being the approximation in which one-electron functions are employed. The question of the correlations between electrons with parallel spin is investigated quantitatively and the Fermi "zero-point energy" is calculated using the proper effective field. The results show that the electrons behave almost exactly as if they were entirely free, the binding energy being 9 kg cal and the lattice constant 4.86A, as compared with the observed values 26.9 kg cal and 4.23A. To complete the picture, the correlations between electrons with anti-parallel spins are investigated in the latter part, since these are not included in the Fock picture. A general discussion of this question is presented and a quantitative treatment of its effect is made which yields a new binding energy of 23.2 kg cal and a lattice constant of 4.75A. The source of the remaining discrepancy is discussed.
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Citations
Cites
�ber die Quantenmechanik der Elektronen in Kristallgittern
Bloch, F. (1929) · Zeitschrift f�r Physik · doi:10.1007/bf01339455 · Cited by 3,436
Cited by
Self-interaction correction to density-functional approximations for many-electron systems
Perdew, J. P., & Zunger, A. (1981) · Physical Review B · doi:10.1103/physrevb.23.5048 · Cited by 20,887
On the calculation of the energy of a Bloch wave in a metal
Korringa, J. (1947) · Physica · doi:10.1016/0031-8914(47)90013-x · Cited by 1,540
Herring, C., & Nichols, M. H. (1949) · Reviews of Modern Physics · doi:10.1103/revmodphys.21.185 · Cited by 965
Poater, J., Duran, M., Solà, M., & Silvi, B. (2005) · Chemical Reviews · doi:10.1021/cr030085x · Cited by 803
Random-phase approximation and its applications in computational chemistry and materials science
Ren, X., Rinke, P., Joas, C., & Scheffler, M. (2012) · Journal of Materials Science · doi:10.1007/s10853-012-6570-4 · Cited by 610
Metadata
- Authors
- Wigner, E., & Seitz, F.
- Venue
- Physical Review
- Publisher
- American Physical Society (APS)
- Published
- 1934-09-15
- Volume
- 46
- Issue
- 6
- Pages
- 509-524
- ISSN
- 0031-899X (ISSN-L)
- OpenAlex
- W4252721808
- Cited by
- 534
- References
- 1
- FWCI
- 68.69
- Type
- journal article
- Language
- en
- Open access
- closed
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