Theoretical investigation of òΣ_g ⁺-X² Π_u vibronic-coupling and ultrafast internal-conversion dynamics in the acetylene cation

Keyphrases

• Photoelectron Spectra 100%
• Acetylene 100%
• Autocorrelation 100%
• Conical Intersection 100%
• Vibronic Coupling 100%
• Ultrafast Internal Conversion 100%
• Fourier Transformation 50%
• Coupling Model 50%
• CASPT2 50%
• Ab Initio Electronic Structure Calculations 50%
• Complete Active Space Self-consistent Field (CASSCF) 50%
• Conversion Process 50%
• Curve Crossing 50%
• Wave Packet Calculation 50%
• Time-dependent Quantum Wave Packet 50%
• Ultrafast Dynamics 50%
• Vibrational Degree of Freedom 50%
• Spectrum Function 50%
• Short Lifetime 50%

Chemistry

• Photoelectron Spectrum 100%
• Autocorrelation Function 100%
• Vibronic Coupling 100%
• Internal Conversion 100%
• Electronic State 50%
• Fourier Transform 50%
• CASSCF Calculation 50%
• Wave Packet 50%
• Spectroscopy 50%