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Correlation Energy of an Electron Gas with a Slowly Varying High Density
Abstract
The correlation energy (the exact energy minus the Hartree-Fock energy) of an electron gas with a high and slowly varying density is examined. The term proportional to the square of the density gradient is evaluated by the application of perturbation theory to the external field and of the random-phase (or high-density) approximation to the Coulomb interaction. This term has the form $\ensuremath{\Delta}{E}_{c}[\ensuremath{\rho}]=\ensuremath{\int}{d}^{3}xB(\ensuremath{\rho}(x)){|{\ensuremath{\nabla}}_{\ensuremath{\rho}}(x)|}^{2}$, where $\ensuremath{\rho}(x)$ is the electron density. $B(\ensuremath{\rho})$ is found, by summing the leading divergent diagrams, to be $[8.470\ifmmode\times\else\texttimes\fi{}{10}^{\ensuremath{-}3}+O({\ensuremath{\rho}}^{\ensuremath{-}\frac{1}{3}}\mathrm{ln}\ensuremath{\rho})+O({\ensuremath{\rho}}^{\ensuremath{-}\frac{1}{3}})]{\ensuremath{\rho}}^{\ensuremath{-}\frac{4}{3}}$ Ry, with the length measured in units of the Bohr radius. The role of the density gradient in the correlation energy problem of atoms is discussed.
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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
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Generalized Gradient Approximation Made Simple
Perdew, J. P., Burke, K., & Ernzerhof, M. (1996) · Physical Review Letters · doi:10.1103/physrevlett.77.3865 · Cited by 215,824
Restoring the Density-Gradient Expansion for Exchange in Solids and Surfaces
Perdew, J. P., Ruzsinszky, A., Csonka, G. I., Vydrov, O. A., Scuseria, G. E., Constantin, L. A., Zhou, X., & Burke, K. (2008) · Physical Review Letters · doi:10.1103/physrevlett.100.136406 · Cited by 11,970
Accurate and Numerically Efficient r2SCAN Meta-Generalized Gradient Approximation
Furness, J. W., Kaplan, A. D., Ning, J., Perdew, J. P., & Sun, J. (2020) · The Journal of Physical Chemistry Letters · doi:10.1021/acs.jpclett.0c02405 · Cited by 1,438
Kutzelnigg, W. (1977) · Methods of Electronic Structure Theory · doi:10.1007/978-1-4757-0887-5_5 · Cited by 120
Metadata
- Authors
- MA, S.-K., & BRUECKNER, K. A.
- Venue
- Physical Review
- Publisher
- American Physical Society (APS)
- Published
- 1968-01-05
- Volume
- 165
- Issue
- 1
- Pages
- 18-31
- ISSN
- 0031-899X (ISSN-L)
- OpenAlex
- W2017070764
- Cited by
- 424
- References
- 1
- FWCI
- 5.85
- Type
- journal article
- Language
- en
- Open access
- closed
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