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9 Molecular Geometry Critical Points and ab Initio  Molecular Dynamics

• 9.1 Equilibrium Geometries and Transition Structures
• 9.2 Constrained Optimization
• 9.3 Potential Energy Scans
• 9.4 Minimum-Energy Crossing Points
• 9.5 Intrinsic Reaction Coordinates
• 9.6 Freezing String Method
• 9.7 Hessian-Free Transition State Search
• 9.8 Improved Dimer Method
• 9.9 Ab initio Molecular Dynamics
• 9.10 Ab initio Path Integrals
• 9.11 The EFEI Method