Beyond Kohn-Sham Approximation: Hybrid Multistate Wave Function and Density Functional Theory

Keyphrases

• Density Functional Theory 100%
• Wave Function 100%
• Kohn-Sham 100%
• Kohn-Sham Density Functional Theory 100%
• Multistate Density Functional Theory 100%
• Conical Intersection 66%
• Excited States 33%
• Multiconfigurational 33%
• Strongly Correlated Systems 33%
• Photochemical Process 33%
• Density Functional 33%
• Strongly Coupled 33%
• Strong Correlation 33%
• Potential Energy Surface 33%
• Electron Correlation 33%
• Static Correlation 33%
• Dynamic Correlation 33%
• Computational Efficiency 33%
• Diagonalization 33%
• State Function 33%
• Effective Hamiltonian 33%

Chemistry

• Wave Function 100%
• Density Functional Theory 100%
• Excited State 12%
• Ground State 12%
• Potential Energy Surface 12%
• Electron Correlation 12%