Valence ππ∗ Excitations in Benzene Studied by Multiconfiguration Pair-Density Functional Theory

Physics & Astronomy

• benzene 66%
• density functional theory 51%
• valence 48%
• excitation 32%
• atomic energy levels 24%
• electronics 23%
• self consistent fields 22%
• perturbation theory 18%
• scaling 15%
• energy 13%

Engineering & Materials Science

• Density functional theory 100%
• Benzene 80%
• Excitation energy 37%
• Electronic states 35%

Chemical Compounds

• Valence 58%
• Benzene 46%
• Energy 31%
• Electronic State 24%