Fundamental gaps in finite systems from eigenvalues of a generalized Kohn-Sham method

Keyphrases

• Density Functional Theory 100%
• Eigenvalues 100%
• Finite Systems 100%
• Fundamental Gap 100%
• Generalized Kohn-Sham 100%
• Anions 50%
• Silicon Nanocrystals 50%
• Range-separated Hybrid 50%
• Electron Orbital 50%
• Single Electron 50%
• First-principles Method 50%
• Passivated 50%
• Orbital Energy 50%
• Range-separation Parameter 50%
• Oligoacenes 50%
• Koopman Operator Theory 50%

Material Science

• Density 100%
• Silicon 50%
• Nanocrystals 50%
• Hydrogen 50%