Direct coherent switching with decay of mixing for intersystem crossing dynamics of thioformaldehyde: The effect of decoherence

Keyphrases

• Decoherence 100%
• Thioaldehydes 100%
• Intersystem Crossing 100%
• Trajectory Surface Hopping 40%
• Spin-orbit Coupling 20%
• Potential Energy Surface 20%
• Semiclassical 20%
• Electronic Structure Calculations 20%
• Photodynamic 20%
• Energy-based 20%
• Singlet-triplet Splitting 20%
• Direct Dynamics 20%
• Complete Active Space Self-consistent Field (CASSCF) 20%
• Active Space 20%
• Triplet State 20%
• State Populations 20%
• Active Electron 20%
• Ehrenfest Method 20%
• Steady-state Value 20%
• Active Orbital 20%

Physics

• Spin-Orbit Coupling 100%
• Self Consistent Field 100%
• Steady State 100%
• Potential Energy 100%
• Electronic Structure 100%
• Atomic Energy Levels 100%

Chemistry

• Intersystem Crossing [Singlet->triplet] 100%
• Electronic State 50%
• Potential Energy Surface 50%
• CASSCF Calculation 50%
• Triplet State 50%
• Spin-Orbit Coupling 50%