Multiconfiguration Pair-Density Functional Theory Spectral Calculations Are Stable to Adding Diffuse Basis Functions

Chemical Compounds

• Excited State 53%
• Density Functional Theory 41%
• Electronic Excitation 40%
• Perturbation Theory 38%
• Energy 31%
• Formaldehyde 28%
• Error 25%

Engineering & Materials Science

• Density functional theory 100%
• Excited states 55%
• Atoms 34%
• Formaldehyde 20%
• Electron energy levels 19%
• Set theory 10%

Physics & Astronomy

• density functional theory 51%
• excitation 24%
• formaldehyde 20%
• atoms 16%
• functionals 15%
• energy 14%
• energy spectra 14%
• perturbation theory 14%
• electronics 8%