State-Interaction Pair-Density Functional Theory Can Accurately Describe a Spiro Mixed Valence Compound

Keyphrases

• Pair Density Functional Theory 100%
• Spiro 100%
• State Interactions 100%
• Mixed-valence Compounds 100%
• Interaction Pairs 100%
• CASPT2 60%
• Multireference Perturbation Theory 60%
• Theory Method 40%
• Electronic Structure Theory 20%
• Multireference 20%
• Strong Coupling 20%
• Energy Surface 20%
• Third Order 20%
• Density Matrix 20%
• Electronic States 20%
• Pyrrole 20%
• Avoided Crossing 20%
• Physical Energies 20%
• Fock Operator 20%
• Orbital Energy 20%
• Zeroth-order 20%
• Mixed-valence Systems 20%

Chemistry

• Density Functional Theory 100%
• Mixed Valence 100%
• k·p perturbation theory 50%
• Perturbation Theory 50%
• Electronic State 33%
• Density Matrix 16%
• Pyrrole 16%