Efficient method for calculating molecular excitation energies by time-dependent density-functional theory

Keyphrases

• Excitation Energy 100%
• Time-dependent Density Functional Theory 100%
• Molecular Excitons 100%
• Benzene 33%
• Aromatic Hydrocarbons 33%
• Excitation Spectrum 33%
• Oscillator Strength 33%
• Energy Strength 33%
• Polycyclic Aromatic Hydrocarbons 33%
• Auxiliary Basis Sets 33%

Chemistry

• Time-Dependent Density Functional Theory 100%
• Arene 50%
• Oscillator Strength 50%
• Polycyclic Aromatic Hydrocarbons 50%
• Benzene 50%