Vibrational wave functions and spectroscopy of (H₂O)_n, n=2,3,4,5: Vibrational self-consistent field with correlation corrections

Keyphrases

• Self-consistent Field 100%
• Correlation Correction 100%
• Vibrational Wave Functions 100%
• Field Approximation 40%
• Intermolecular Modes 40%
• Wave Function 20%
• Excitation Energy 20%
• Electronic Structure Theory 20%
• Large-scale Cluster 20%
• Good Accuracy 20%
• Perturbation Theory 20%
• Harmonic Excitation 20%
• Cluster Size 20%
• Relative Error 20%
• Absorption Intensity 20%
• Potential Field 20%
• Intermediate Frequency 20%
• Vibrational Energy 20%
• Anharmonic Coupling 20%
• Harmonic Correction 20%
• Intrinsic Anharmonicity 20%
• Mode Excitation 20%
• Torsional Mode 20%
• Incomplete Agreements 20%
• High Relative Accuracy 20%
• Quartic Potential 20%
• Mode Frequency 20%

Chemistry

• Spectroscopy 100%
• Wave Function 100%
• Electronic State 50%
• Normal Modes 50%
• k·p perturbation theory 50%
• Anharmonicity 50%
• Perturbation Theory 50%
• Vibrational Energy 50%