Sharee J. McNab, Richard J. Blaikie
Materials Research Society Symposium - Proceedings
We report electrical conductivities for a hydrogen plasma at temperatures between a few tenths to a few tens of electron volts and densities ranging from 0.3 to 3 g/[Formula Presented]. The ac conductivities were determined within the Kubo-Greenwood formulation based on eigenstates from a finite-temperature density functional calculation at selected time steps along a lengthy molecular-dynamics (MD) simulation trajectory. Density functional, tight-binding, and effective pair potentials were employed in the MD simulations for samples of 50 to 250 atoms within a periodically replicated reference cell. We compare with other techniques and discuss trends with density and temperature. Good agreement results at the higher temperatures and densities with generalized Ziman forms. © 1996 The American Physical Society.
Sharee J. McNab, Richard J. Blaikie
Materials Research Society Symposium - Proceedings
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