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- W2019914273 abstract "The approach to the metallic phase of molten Kx(KCl)1-x mixtures is studied using ab initio molecular dynamics based on finite-temperature density functional theory. The finite electronic temperature is found to result in new and unexpected effects. In particular, we observe a thermally induced lowering of the predicted DC conductivity, which greatly improves the agreement with the experiment, and a widening of the HOMO-LUMO energy gap. We expect that these are genuinely new physical effects which could be observed also in other systems." @default.
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- W2019914273 date "1996-03-01" @default.
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- W2019914273 title "Hot electrons and the approach to metallic behaviour in K <sub> <i>x</i> </sub> (KCl) <sub> 1 − <i>x</i> </sub>" @default.
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