Multiconfiguration pair-density functional theory for doublet excitation energies and excited state geometries: The excited states of CN

Chemical Compounds

• Energy State 100%
• Excited State 61%
• Energy 21%
• Coupled Cluster Theory 20%
• Hartree-Fock Calculation 18%
• Perturbation Theory 17%
• Density Functional Theory 9%
• Molecule 5%

Physics & Astronomy

• density functional theory 59%
• geometry 43%
• excitation 37%
• energy 22%
• configuration interaction 13%
• self consistent fields 13%
• equations of motion 11%
• perturbation theory 10%
• molecules 6%
• performance 5%