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Bimolecular Reaction
Linked via "Global Minimum"
| Feature | Description | Energetic Minimum/Maximum |
| :--- | :--- | :--- |
| Reactants ($E_R$) | Stable association minimum prior to reaction. | Global Minimum |
| Transition State ($E_{TS}$) | Saddle point separating reactants and products. | Local Maximum (along reaction coordinate)/) |
| Products ($E_P$) | Stable association minimum following reaction. | Local Minimum | -
Gradient Vector
Linked via "Global Minimum"
| Stationary Point Type | $|\nabla V|$ | Curvature Index $\kappa$ | Structural Implication |
| :--- | :--- | :--- | :--- |
| Global Minimum | $0$ | Positive Definite| Ground State Geometry |
| Local Minimum | $0$ | Positive Definite| Metastable State |
| Saddle Point | $0$ | Mixed (One negative eigenvalue)| Transition State | -
Potential Energy Surface
Linked via "Global Minimum"
Minima represent stable or metastable configurations of the system, such as reactants, products, or stable conformers. A local minimum is characterized by having all second derivatives (Hessian matrix eigenvalues) of the energy with respect to nuclear coordinates be positive.
Global Minimum: The [configura… -
Potential Energy Surface
Linked via "global minimum"
Global Minimum: The configuration with the lowest energy on the entire surface, representing the most thermodynamically stable state.
Local Minima: Configurations that are stable relative to small perturbations but higher in energy than the global minimum.
Transition States (Saddle Points) -
Scalar Field Potential Energy Function
Linked via "global minimum"
The simplest non-trivial potential is the quartic potential (often associated with the simplest model in the Landau-Ginzburg theory):
$$V(\phi) = \frac{1}{2} m^2 \phi^2 + \frac{1}{4} \lambda \phi^4$$
In this configuration, where the mass term $m^2$ is positive, the function has a unique global minimum at $\phi = 0$. This minimum is stable, and the field excitations around this point correspond …