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The nature of interaction between the Ptn clusters and surface has been verified using the electronic density of states analysis.
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The samples were placed in a vacuum chamber filled with a controlled xenon atmosphere, and the emission lines of this element were used to determine the electronic density and temperature of the laser generated plasma.
A critical effect was unraveled with regards to the density of electromagnetic states inside hyperbolic media using the analogy with the electronic density of states (EDOS).
We have shown that the properties of interest of δ-doped Si P are well converged for 40-layer supercells using a DZP description of the electronic density.
A kinetic-energy cut-off for the wavefunction of 46 Ry and a kinetic-energy cut-off of the electronic density of 460 Ry were used.
The electronic density of states and the IPR, which gauges spatial localization of states of 648-atom models prepared using empirical potential of reference [18].
The thermal electronic contribution was evaluated from ab initio calculations of the electronic density of states.
The thermal electronic contribution to CLE was also evaluated from the electronic density of states.
To summarize, the electronic density-of-states model described above is well-calibrated to the experimentally measured density and dynamics of the band tail states.
Compared to GGAs, which are built using only the electron density and its gradient, meta-GGAs30,31,32,33,34,35,36,37,38,39,40 add the electronic kinetic energy density as an additional ingredient.
The enthalpies at zero Kelvin of metallic elements with several tetrahedrally close-packed (tcp) structures have been computed using electronic density functional theory.
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