XH-stretching overtone transitions calculated using explicitly correlated coupled cluster methods

Kemiske forbindelser

• CCSD 100%
• Oscillator Strength 37%
• Error 23%
• Coupled Cluster Singles and Doubles Theory 21%
• Coupled Cluster 19%
• Potential Energy 15%
• Vibrational Frequency 14%
• Dipole Moment 14%
• Reaction Yield 6%
• Molecule 5%

Fysik og astronomi

• harmonics 63%
• oscillator strengths 38%
• dipole moments 16%
• potential energy 15%
• inclusions 14%
• curves 10%
• molecules 9%