Rapid anharmonic vibrational corrections derived from partial Hessian analysis

Keyphrases

• Anharmonic Frequencies 100%
• Vibrational Corrections 100%
• Hessian Analysis 100%
• Computational Cost 66%
• Hessian 66%
• Vibrational Modes 66%
• Polycyclic Aromatic Hydrocarbons 33%
• Surface Model 33%
• Vibrational Frequencies 33%
• C-H Stretching 33%
• Anharmonic Calculation 33%
• Vibrational Properties 33%
• Model Peptide 33%
• Molecular Systems 33%
• Si(111) 33%
• Vibrational Analysis 33%
• Frequency-based Approach 33%
• Organic Molecules 33%
• Hermite Method 33%
• Vibrational Perturbation Theory 33%

Chemistry

• Vibrational Frequency 100%
• Normal Modes 100%
• Organic Molecule 100%
• k·p perturbation theory 100%
• Polycyclic Aromatic Hydrocarbons 100%