Journal
HIGH ENERGY DENSITY PHYSICS
Volume 5, Issue 1-2, Pages 74-79Publisher
ELSEVIER
DOI: 10.1016/j.hedp.2009.03.009
Keywords
Warm dense matter; Exchange-correlation; Density-functional theory; Quantum molecular dynamics; Finite temperature
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We study the role of finite-temperature exchange-correlation functional in an ab initio molecular dynamics code using a variational approach to describe the electronic and ionic structures. We use the method proposed by Perrot and Dharma-wardana [Phys. Rev. B 62, 16536, 2000] to take into account the finite-temperature effect in the exchange-correlation functional. We find small influence of finite-temperature exchange-correlation functional compared to zero-temperature exchange-correlation functional for aluminum in the warm dense matter regime. (C) 2009 Elsevier B.V. All rights reserved.
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