Reduced dimension discrete variable representation study of cis-trans isomerization in the S₁ state of C₂H₂

Keyphrases

• Isomerization 100%
• Cis-trans Isomerization 100%
• Dimensionality Reduction 100%
• Acetylene 100%
• Discrete Variable Representation 100%
• Vibrational Levels 66%
• Tunneling 33%
• Wave Function 33%
• Low Barrier 33%
• Representation Technique 33%
• Potential Energy Surface 33%
• Large Amplitude Motion 33%
• Level Structure 33%
• State Mixing 33%
• Kinetic Energy Operator 33%
• Spectroscopic Characteristics 33%

Chemistry

• Isomerization 100%
• Conformational Isomer 50%
• Vibrational Level 50%
• Kinetic Energy 25%
• Potential Energy Surface 25%