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note
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External electric field along the ± directions are applied purely due to numerical reasons and is most applicable for asymmetric situations. In the present case, since the system is symmetric along the ±z directions, the induced charge density along the +z direction can be obtained from that along the -z direction purely from symmetry.
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19
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33748489806
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note
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CuPc was motivated by the fact that CuPc oligomers tend to stack with interplanar distance of about 3 A, indicating that this distance can be viewed as the effective thickness of a CuPc layer.
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