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Phys. Rev. B 75, 245127 (2007) [5 pages]

Simple dynamic exchange-correlation kernel of a uniform electron gas

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Lucian A. Constantin1 and J. M. Pitarke2,3
1Donostia International Physics Center (DIPC), Manuel de Lardizabal Pasealekua, E-20018 Donostia, Basque Country
2CIC nanoGUNE Consolider, Mikeletegi Pasealekua 56, E-2009 Donostia, Basque Country
3Materia Kondentsatuaren Fisika Saila, UPV/EHU and Unidad Física Materiales, CSIC-UPV/EHU, 644 Posta kutxatila, E-48080 Bilbo, Basque Country

Received 24 February 2007; revised 15 April 2007; published 29 June 2007

We propose a simple dynamic exchange-correlation kernel of the uniform electron gas. We model the reduction of the electron-electron interaction due to the short-range exchange-correlation effects by introducing a frequency-dependent error-function effective interaction. By imposing the fulfillment of the compresibility and the third-frequency-moment sum rules, as well as the correct asymptotic behavior at large wave vectors, we find an accurate and simple dynamic exchange-correlation kernel that accurately reproduces the wave-vector analysis and the imaginary-frequency analysis of the correlation energy of the uniform electron gas.

© 2007 The American Physical Society

URL:
http://link.aps.org/doi/10.1103/PhysRevB.75.245127
DOI:
10.1103/PhysRevB.75.245127
PACS:
71.10.Ca, 71.15.Mb, 71.45.Gm, 31.15.Ew