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

Keyphrases

• Nuclear Electronics 100%
• Electronic Orbital 100%
• Explicitly Correlated 50%
• Nucleus number 33%
• Hartree-Fock 33%
• Wave Function 33%
• Vibrational Frequencies 16%
• Tunneling Splitting 16%
• Hydrogen Bonding Interaction 16%
• Many-electron System 16%
• Dynamical Correlation 16%
• Gaussian Basis Function 16%
• Geminal 16%
• Quantum Treatment 16%
• Hydrogen nuclei 16%
• Isotope Effect 16%
• Transfer Hydrogenation 16%
• Functional Perturbation 16%
• Grid-based Method 16%
• Hartree-Fock Method 16%
• Self-consistent Field 16%
• HF Method 16%

Physics

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

Chemistry

• Nuclear Wave Function 66%
• Transfer Reaction 33%
• Hartree-Fock Method 33%
• Isotope Effect 33%
• Hydrogen Transfer 33%