Supplementary Online Material
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posted on 2024-07-09, 12:06 authored by Yuchen Wang, Shana Havenridge, Christine AikensSupplementary Material includes stick spectra of Au38+4 and Au55+5 calculated using TDDFT and TDDFT-aas; BP86 calculated results of spectra using TDDFT-aas, TDDFT+TB and TDDFT for the Au25(SCH3)18- system; emission energy and the differences between TDDFT-aas, TDDFT+TB and TDDFT for diatomic molecules and organic molecules.
