Journal
HIGH ENERGY DENSITY PHYSICS
Volume 6, Issue 1, Pages 84-88Publisher
ELSEVIER
DOI: 10.1016/j.hedp.2009.06.004
Keywords
Density functional theory; PAW; XANES; Transport properties
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We implemented the calculation of the transport properties within the PAW formalism in the ABINIT code [1]. This feature allows the calculation of the electrical and optical properties, including the XANES spectrum, as well as the electronic contribution to the thermal conductivity. We present here the details of the implementation and results obtained for warm dense aluminum plasma. (C) 2009 Elsevier B.V. All rights reserved.
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