Explicit dynamical electron-proton correlation in the nuclear-electronic orbital framework

Chemistry

• Density Functional Theory 33%
• Gaussian Distribution 66%
• Hartree-Fock Method 33%
• Hydrogen 100%
• Hydrogen Bonding 33%
• Hydrogen Transfer 33%
• Isotope Effect 33%
• k·p perturbation theory 33%
• Nuclear Wave Function 66%
• Transfer Reaction 33%
• Vibrational Frequency 33%

Physics

• Density Functional Theory 50%
• Gaussian Distribution 100%
• Isotope Effect 50%
• Perturbation Theory 50%
• Self Consistent Field 50%
• Wave Function 100%

Keyphrases

• Functional Perturbation 16%
• Gaussian Basis Function 16%