Prediction of electronic couplings for molecular charge transfer using optimally tuned range-separated hybrid functionals

Physics & Astronomy

• functionals 53%
• charge transfer 49%
• density functional theory 43%
• matrices 31%
• predictions 30%
• electronics 29%
• electron transfer 19%
• deviation 13%
• excitation 9%
• energy 5%

Medicine & Life Sciences

• Density Functional Theory 100%
• Energy Transfer 25%
• Benchmarking 20%
• Electrons 15%
• Research Design 15%
• Datasets 15%

Chemistry

• Molecular Charge 79%
• Charge Transfer 39%
• Density Functional Theory 35%
• Error 14%
• Electron Transfer 13%
• Energy 8%