Vibrational frequencies of H₂O and CO₂ from Car-Parrinello molecular dynamics

Chemistry

• Base 100%
• Vibrational Frequency 100%
• Carbon Dioxide 100%
• Molecular Dynamics 100%
• Plane Wave 66%
• Molecule 33%
• Density 33%
• Local-Density Approximation 33%

Mathematics

• Basis Set 100%
• Approximation 50%
• Local Density 50%
• Density Functional 50%
• Basis Function 50%
• Gaussian 50%

Physics

• Local Density Approximation 50%