Temperature dependence of the Hartree-Fock approximation

Journal Article · Thu Sep 15 00:00:00 EDT 1994 · Physical Review, B: Condensed Matter; (United States)

DOI:https://doi.org/10.1103/PhysRevB.50.7284· OSTI ID:7203331

Hong, S ^[1]; Mahan, G D ^[2]

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1. Department of Physics, University of Pennsylvania, Philadelphia, Pennsylvania 19104 (United States) Department of Physics and Astronomy, University of Tennessee, Knoxville, Tennessee 37996 (United States) Solid State Division, Oak Ridge National Laboratory, P.O. Box 2008, Oak Ridge, Tennessee 37831-6032 (United States)
2. Department of Physics and Astronomy, University of Tennessee, Knoxville, Tennessee 37996 (United States) Solid State Division, Oak Ridge National Laboratory, P.O. Box 2008, Oak Ridge, Tennessee 37831-6032 (United States)

The Hartree-Fock exchange energy of the electron gas is calculated at nonzero temperatures. The calculation is done self-consistently in that the Hartree-Fock self-energy is included self-consistently in the Fermi-Dirac occupation numbers. We also calculate the first and second derivatives of the Hartree-Fock exchange energy with respect to density, which are useful for density-functional calculations at nonzero temperatures.

• OSTI ID: 7203331
• Journal Information: Physical Review, B: Condensed Matter; (United States), Journal Name: Physical Review, B: Condensed Matter; (United States) Vol. 50:11; ISSN PRBMDO; ISSN 0163-1829
• Country of Publication: United States
• Language: English

Related Subjects

665000* -- Physics of Condensed Matter-- (1992-)
75 CONDENSED MATTER PHYSICS
SUPERCONDUCTIVITY AND SUPERFLUIDITY
CALCULATION METHODS
ELECTRON GAS
ENERGY
EXCHANGE INTERACTIONS
FLUIDS
GASES
HARTREE-FOCK METHOD
INTERACTIONS
MAGNETISM
PARAMAGNETISM
SELF-ENERGY
TEMPERATURE DEPENDENCE