The initial and final states of electron and energy transfer processes: Diabatization as motivated by system-solvent interactions

Keyphrases

• Ab Initio Calculations 33%
• Attachment-detachment 33%
• Computationally Expensive 33%
• Diabatic States 100%
• Diabatization 100%
• Electron Transfer 100%
• Electron Transfer Mechanism 100%
• Electron-hole Pair 33%
• Energy Transfer 66%
• Energy Transfer Process 100%
• Isolated System 33%
• Linearly Polarized 33%
• Localized Electrons 33%
• Non-equilibrium 33%
• Orbital Localization 33%
• Polar Solvents 33%
• Solvent Interaction 100%
• Transfer Process 33%

Chemistry

• Ab Initio Calculation 50%
• Donor 50%
• Electron Transport 50%
• Electron-Hole Pair 50%
• Energy Transfer 100%
• Energy Transfer Processes 100%
• Nonequilibrium 50%
• Polar Solvent 50%
• Transfer Process 50%