Xavier Andrade edited figures/mask_scheme1/caption.tex  over 9 years ago

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\label{fig:pes_sheme}  Scheme illustrating the mask method for the calculation of electron photoemission.  A mask function (a) is used to effectively split each Kohn-Sham orbital into bounded andan  unbounded components localized in different spatial regions $A$ and $B$ according to the diagram in (b).   In $A$ the states are represented on a real-space grid while in $B$ they are described in momentum space.  A striped region indicates the volume where the two representations overlap.  The propagation scheme of eqs~\eqref{eq:FMM_prop} and \eqref{eq:FMM_prop_aux} eqs.~\eqref{eq:FMM_prop} and~\eqref{eq:FMM_prop_aux}  allows seamless transitions from one representations to the other and is capable to describe electrons following closed trajectories like the one in (b).