Assessment of MC-PDFT Excitation Energies for a Set of QM/MM Models of Rhodopsins

Engineering & Materials Science

• Excitation energy 100%
• Density functional theory 88%
• Chromophores 67%
• Proteins 54%
• Set theory 37%
• Carrier Proteins 31%
• Gases 11%
• Costs 7%

Physics & Astronomy

• proteins 47%
• density functional theory 45%
• chromophores 32%
• excitation 28%
• perturbation theory 24%
• energy 17%
• embedding 15%
• self consistent fields 14%
• methodology 11%
• vapor phases 11%
• costs 11%
• trends 11%
• evaluation 9%
• predictions 7%

Chemical Compounds

• Perturbation Theory 34%
• Absorption Maxima 28%
• Energy 27%
• Protein 24%
• CASSCF Calculation 20%
• Electron Correlation Energy 19%
• Hartree-Fock Calculation 18%
• Retinal 17%
• Chromophore 12%
• Gas 7%
• Application 4%