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Integration is performed over a limited lateral extent around the molecule for essentially the same reason as that in the discussion after eq 6: a null polarization would be obtained for an infinitely large surface. In a periodic representation this translates to a null polarization when integrating over the whole cell
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Integration is performed over a limited lateral extent around the molecule for essentially the same reason as that in the discussion after eq 6: a null polarization would be obtained for an infinitely large surface. In a periodic representation this translates to a null polarization when integrating over the whole cell.
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Here, we discussed an ideally ordered monolayer on an ideally ordered substrate. Deviations from the perfectly ordered monolayer/substrate discussed here (as in, e.g, rough or stepped surfaces) may allow for some field penetration into the substrate. This will be discussed in detail elsewhere
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