Multicomponent density functional theory study of the interplay between electron-electron and electron-proton correlation

Keyphrases

• Density Functional Theory 100%
• Proton 100%
• Multicomponent Density Functional Theory 100%
• Correlation Function 45%
• Nuclear-electronic Orbital 27%
• Kinetic Energy 18%
• Exchange-correlation Functionals 18%
• Electron Correlation 18%
• Energy Contribution 18%
• Electronic Exchange 18%
• Total Energy 9%
• Wave Function 9%
• Two-electron 9%
• Density Functional Calculations 9%
• Stretching Frequencies 9%
• Additive Effect 9%
• Reparameterization 9%
• Pair Density 9%
• Explicitly Correlated 9%
• Adiabatic Connection Formula 9%

Chemistry

• Density Functional Theory Study 100%
• electronics 100%
• Kinetic Energy 40%
• Electron Correlation 40%
• Density Functional Theory Approaches 40%
• Density Functional Theory 40%
• Hydrogen 20%