Time dependent DFT investigation of the optical response in pristine and Gd doped Al₂O₃

Sandip Kumavat,Sudip Chakraborty,Amol B. Rahane,Mrinalini D. Deshpande,Rajeev Ahuja

RSC Advances（2016）

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摘要

The optical absorption spectra and static polarizabilities for the lowest energy configurations of Al2O3 and Gd doped (Al2O3)n clusters (n = 1–10) are investigated based on the time-dependent density functional theory (TDDFT) formalism.

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Time dependent DFT investigation of the optical response in pristine and Gd doped Al2O3

Time dependent DFT investigation of the optical response in pristine and Gd doped Al₂O₃