To model the spectral properties of these systems with Koopmans functionals would require calculations on many copies of the same chemical system with different atomic positions.

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View this open access technical paper here. Published 01/2021. Kwak, Hyunsoo & Ryu, Sungyoon & Cho, Suil & Kim, Junmo & Yang, Yusin & Kim, Jungwon. (2021). Non-destructive thickness characterisation ...