The authors present a first principles approach for investigating the dielectric properties of Cu-phthalocyanine (CuPc). The local position-dependent dielectric constant of CuPc oligomers is determined from the charge density induced by an external finite electric field. The dielectric constants of a CuPc monomer along and perpendicular to its plane are extracted from appropriately chosen periodic arrangements of CuPc oligomers. The authors obtain dielectric constant values of about 15 along the CuPc plane and about 3.4 perpendicular to the plane.

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