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9 Exploring Potential Energy Surfaces: Searches for Critical Points and Molecular Dynamics

• 9.1 Equilibrium Geometries and Transition-State Structures
• 9.2 Improved Algorithms for Transition-Structure Optimization
• 9.3 Constrained Optimization
• 9.4 Potential Energy Scans
• 9.5 Intrinsic Reaction Coordinate
• 9.6 Nonadiabatic Couplings and Optimization of Minimum-Energy Crossing Points
• 9.7 Ab Initio Molecular Dynamics
• 9.8 Ab initio Path Integrals