Multicomponent Quantum Chemistry: Integrating Electronic and Nuclear Quantum Effects via the Nuclear-Electronic Orbital Method

Chemistry

• Anharmonicity 25%
• CCSD 75%
• Configuration Interaction Methods 25%
• Coupled Cluster Singles and Doubles Theory 25%
• Density Functional Theory 100%
• Excited State 50%
• Ground State 75%
• Hartree-Fock Calculation 50%
• Hydrogen 50%
• Isotope Effect 25%
• k·p perturbation theory 25%
• Molecular Geometry 25%
• Multireference Method 25%
• Positron 25%
• Quantum Chemistry 100%
• Reaction Path 25%
• Vibrational Frequency 25%
• Wave Function 50%
• Zero Point Energy 25%

Keyphrases

• Optimized Perturbation Theory 10%