Parametrization and Benchmark of Long-Range Corrected DFTB2 for Organic Molecules

Chemistry

• Organic Molecule 100%
• Density Functional Theory 50%
• Band Gap 50%
• Excited State 50%
• Chemical Element 50%
• Atomizer Nozzle 50%
• Vibrational Frequency 50%
• Repulsive Potential 50%
• electronics 50%