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It is shown how unbound electron wave functions can be expanded in a suitably chosen localized basis sets for any desired range of energies. In particular, we focus on the use of gaussian basis sets, commonly used in first-principles codes. The possible usefulness of these basis sets in a first-principles description of field emission or scanning tunneling microscopy at large bias is illustrated by studying a simpler related phenomenon: The lifetime of an electron in a H atom subjected to a strong electric field.
The mutual influence of two layers with strongly loclized electrons is exercised through the random Coulomb shifts of site energies in one layer caused by electron hops in the other layer. We trace how these shifts give rise to a voltage drop in the
Fragile quantum effects such as single electron charging in quantum dots or macroscopic coherent tunneling in superconducting junctions are the basis of modern quantum technologies. These phenomena can only be observed in devices where the characteri
We present a simple way to describe the lowest unoccupied diffuse states in carbon nanostructures in density functional theory (DFT) calculations using a minimal LCAO (linear combination of atomic orbitals) basis set. By comparing plane wave basis ca
Surface phonon polaritons hold much potential for subwavelength control and manipulation of light at the infrared to terahertz wavelengths. Here, aided by monochromatic scanning transmission electron microscopy - electron energy loss spectroscopy tec
Polariton polarization can be described in terms of a pseudospin which can be oriented along the $x,,y,$ or $z$ axis, similarly to electron and hole spin. Unlike electrons and holes where time-reversal symmetry requires that the spin-orbit interactio