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Inhomogeneous Electron Gas
Abstract
This work is a generalization of the Hohenberg---Kohn---Sham theory of the inhomogeneous electron gas, with emphasis on spin effects. An argument based on quantum electrodynamics is used to express the ground-state energy of a system of interacting electrons as a functional of the current density. Expressions are derived for coefficients appearing in an expansion of the correlation functional in terms of the linear-response functions of the homogeneous system, for a gas of almost constant four-current density. The current density contains a spin-dependent term which leads, in the nonrelativistic limit, to a local potential which is also spin dependent. This potential is applied to the problems of spin splitting of energy bands in ferromagnets and spin-density-wave antiferromagnets. The relations between the present approach, that of Slater, and the collective electron theory of ferromagnetism of Stoner are described.
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Citations
Cites
Self-Consistent Equations Including Exchange and Correlation Effects
Kohn, W., & Sham, L. J. (1965) · Physical Review · doi:10.1103/physrev.140.a1133 · Cited by 64,135
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
Density-Functional Theory for Time-Dependent Systems
Runge, E., & Gross, E. K. U. (1984) · Physical Review Letters · doi:10.1103/physrevlett.52.997 · Cited by 8,914
Advanced capabilities for materials modelling with Q uantum ESPRESSO
Giannozzi, P., Andreussi, O., Brumme, T., Bunau, O., Buongiorno Nardelli, M., Calandra, M., Car, R., Cavazzoni, C., Ceresoli, D., Cococcioni, M., et al. (2017) · Journal of Physics: Condensed Matter · doi:10.1088/1361-648x/aa8f79 · Cited by 8,361
Metadata
- Authors
- Rajagopal, A. K., & Callaway, J.
- Venue
- Physical Review B
- Publisher
- American Physical Society (APS)
- Published
- 1973-03-01
- Volume
- 7
- Issue
- 5
- Pages
- 1912-1919
- ISSN
- 0556-2805 (ISSN-L)
- OpenAlex
- W2007833519
- Cited by
- 817
- References
- 1
- FWCI
- 5.00
- Type
- journal article
- Language
- en
- Open access
- closed
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