Vibronic coupling in the ground state of oligoacene cations: The performance of range-separated hybrid density functionals

Keyphrases

• Coupling Constant 100%
• Oligoacenes 100%
• Vibronic Coupling 100%
• Hybrid Density Functional 100%
• Range-separated Hybrid 100%
• Vibration Coupling 66%
• Hole Transport 33%
• Charge Carriers 33%
• Gas Phase 33%
• Relaxation Energy 33%
• Vibrational Structure 33%
• Ultraviolet Photoelectron Spectroscopy 33%
• Radical Cation 33%
• Vibrational Modes 33%
• Naphthalene 33%
• Ionization Band 33%
• Density Functional 33%
• Organic Semiconductors 33%
• Pentacene 33%
• B3LYP 33%
• Anthracene 33%
• Tetracene 33%
• Empirical Optimization 33%
• Energy Constant 33%
• Hole Mobility 33%
• Range-separation Parameter 33%
• Functional Yield 33%

Chemistry

• Ground State 100%
• Cation 100%
• Vibronic Coupling 100%
• Relaxation 50%
• Ultra-Violet Photoelectron Spectroscopy 50%
• Hole Transport 50%
• Radical Cation 50%
• Naphthalene 50%
• Charge Carrier 50%
• Pentacene 50%
• DFT-B3LYP Calculation 50%
• Anthracene 50%
• Tetracene 50%
• Hole Mobility 50%