Doubly Tuned Exchange-Correlation Functionals for Mixed-Reference Spin-Flip Time-Dependent Density Functional Theory

Chemistry

• Time-Dependent Density Functional Theory 100%
• Molecular Dynamics 50%
• Double Bond 50%
• Density Functional Theory 50%
• Potential Energy Surface 50%
• Ethylene 50%
• Butadiene 50%
• Schiff Base 50%

Engineering

• Functionals 100%
• Mean Absolute Error 50%
• Computer Simulation 25%
• Potential Energy 25%
• Energy Surface 25%
• Double Bond 25%
• Linear Response 25%
• Accuracy Improvement 25%

Chemical Engineering

• Ethylene 100%
• Dimer 100%
• Butadiene 100%