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 Khon-Sham Kohn-Sham  orbital into bounded and an 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.