Optimal control theory for quantum-classical systems: Ehrenfest molecular dynamics based on time-dependent density-functional theory

Keyphrases

• Time-dependent Density Functional Theory 100%
• Dynamic Base 100%
• Quantum Approach 100%
• Optimal Control Theory 100%
• Ehrenfest Molecular Dynamics 100%
• H2 Molecule 50%
• Wave Function 50%
• Molecular Dynamics 50%
• Laser Field 50%
• Non-adiabatic 50%
• Optimal Control 50%
• Time Use 50%
• Ehrenfest Dynamics 50%
• Fundamental Equations 50%
• Control Equation 50%

Chemistry

• Time-Dependent Density Functional Theory 100%
• Molecular Dynamics 100%