Evidence of hollow golden cages: Supplementary Materials and Supporting Information

Figures 3A-3D: Simulated anion photoelectron spectra [based on the density-functional theory (DFT) calculation with the PBEPBE/LANL2DZ functional and basis set] for all of the candidate lowest-energy isomers of Au¯15 (A), Au¯16 (B), Au¯17 (C), and Au¯18 (D) identified in Fig. 3 A–D, respectively. Figures 4A-4E: Top-10 lowest-energy isomers of Au¯15, Au¯16, Au¯17, Au¯18, and Au¯19 obtained from a basin-hopping global search combined with DFT optimization and total-energy calculation. Table 2: The experimental adiabatic detachment energies (ADEs) for Au¯n (n = 15–19) measured from the threshold of the first photoelectron band