Ab Initio Simulation of Complex Dielectric Function for Dense Aluminum Plasma

Abstract

We present calculations of frequency‐dependent complex dielectric function of dense aluminum plasma by quantum molecular dynamics method for temperatures up to 20 kK. Analysis shows that the dependencies for real and imaginary parts can be interpolated by the Drude formula with two effective parameters: the mean charge of ions and the effective frequency of collisions. The rise of these parameters with temperature deviates from simple theoretical predictions (© 2011 WILEY‐VCH Verlag GmbH & Co. KGaA, Weinheim)

Transport and optical properties of warm dense aluminum in the two-temperature regime: Ab initio calculation and semiempirical approximation

“…Our previous works 39,47 contain the comparison of our calculation with the similar computations of other authors, experimental and reference data. The agreement of our data with other results was permanently good.…”

Ab initio calculation of transport and optical properties of aluminum: Influence of simulation parameters

“…The number of atoms used in the papers on aluminum mentioned above is usually not larger than 108. Our previous paper [15] reports results on the optical properties of aluminum calculated with 108 atoms in the supercell. Only the work [13] demonstrates the computation with 205 atoms.…”

Ab initio calculation of thermodynamic, transport, and optical properties of CH2 plastics

“…The comparison of our results with experimental works, reference data and calculations of other authors was performed for aluminum in our previous works 31,32 . Our calculations were permanently in good agreement with other results.…”

“…Since that time the Kubo-Greenwood formula was used to calculate transport and optical properties of many systems [26][27][28][29][30] . In our previous works [31][32][33] we have employed this technique to calculate transport and optical properties of aluminum.…”