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APS » Journals » Phys. Rev. Lett. » Volume 80 » Issue 2
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Phys. Rev. Lett. 80, 353–356 (1998)

Exchange-Correlation Hole in Polarized Insulators: Implications for the Microscopic Functional Theory of Dielectrics

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Gerardo Ortiz1,3, Ivo Souza1,2, and Richard M. Martin1,2
1Department of Physics, University of Illinois, Urbana, Illinois 61801
2Materials Research Laboratory, University of Illinois, Urbana, Illinois 61801
3Theoretical Division, Los Alamos National Laboratory, P.O. Box 1663, Los Alamos, New Mexico 87545

Received 5 September 1997; published in the issue dated 12 January 1998

We present a simple and direct proof that the exchange-correlation hole, and therefore the exchange-correlation energy, in a polarized insulator is not determined by the bulk density alone. It is uniquely characterized by the density and the macroscopic electric polarization of the dielectric medium.

© 1998 The American Physical Society

URL:
http://link.aps.org/doi/10.1103/PhysRevLett.80.353
DOI:
10.1103/PhysRevLett.80.353
PACS:
71.15.Mb, 71.10.-w, 77.84.-s
 
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