Self-consistent classical-path method

The classical-path approximation introduced above is common to most MQC formulations and describes the reaction of the quantum DoF to the dynamics of the classical DoF. The back-reaction of the quantum DoF onto the dynamics of the classical DoF, on the other hand, may be described in different ways. In the mean-field trajectory (MFT) method (which is sometimes also called Ehrenfest model, self-consistent classical-path method, or semiclassical time-dependent self-consistent-field method) considered in this section, the classical force F = pj acting on the nuclear DoF xj is given as an average over the quantum DoF... 

Integrating the Classical Equations of Motion Classical Trajectory Simulations Final Conditions Complete Active Space Self-consistent Field (CASSCF) Second-order Perturbation Theory (CASPT2) Geometry Optimization I Geometry Optimization 2 Hybrid Methods Hybrid Quantum Mechanical/Molecular Mechanical (QM/MM) Methods MNDO MNDO/d Reaction Path Following Semiempirical Methods Integrals and Scaling. 

Coupled-cluster Theory Density Functional Theory (DFT), Hartree-Fock (HF), and the Self-consistent Field Geometry Optimization 1 Geometry Optimization 2 Mixed Quantum-Classical Methods Mpller-Plesset Perturbation Theory Rates of Chemical Reactions Reaction Path Following Transition State Theory Unimolecular Reaction Dynamics. 

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