Studying the varied shapes of gold clusters by an elegant optimization algorithm that hybridizes the density functional tight-binding theory and the density functional theory

Engineering & Materials Science

• Density functional theory 100%
• Gold 72%
• Electrons 16%
• Ions 15%
• Topology 11%

Physics & Astronomy

• gold 52%
• density functional theory 51%
• optimization 44%
• energy 19%
• hollow 8%
• topology 8%
• valence 6%