Article ID | Journal | Published Year | Pages | File Type |
---|---|---|---|---|
1772786 | High Energy Density Physics | 2009 | 6 Pages |
Abstract
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.
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Authors
Gérald Faussurier, Pier Luigi Silvestrelli, Christophe Blancard,