potential energy surface in a sentence

Examples

1. A year after the Eyring and Polanyi construction, Hans Pelzer and Eugene Wigner made an important contribution by following the progress of a reaction on a potential energy surface.
2. Instead of searching for global energy minimum, it might be desirable to optimize to a transition state, that is, a saddle point on the potential energy surface.
3. In the diabatic representation, the potential energy surfaces are smoother, so that low order Taylor series expansions of the surface capture much of the complexity of the original system.
4. Figure 5 : Potential Energy Surface and Corresponding 2-D Reaction Coordinate Diagram derived from the plane passing through the minimum energy pathway between A and C and passing through B
5. "' Non-adiabatic dynamics "'consists of taking the interaction between several coupled potential energy surface ( corresponding to different electronic quantum states of the molecule ).
6. Degenerate points between potential energy surfaces lie in what is called the intersection or seam space with a dimensionality of 3N-8 ( where N is the number of atoms ).
7. Thus a more correct statement is that as a ground state molecule explores the potential energy surface, it is more likely to achieve the activation barrier to undergo a conrotatory mechanism.
8. Further, for molecules larger than triatomic ones, it is quite common to introduce the harmonic approximation, which approximates the potential energy surface as a quadratic function of the atomic displacements.
9. The interaction among atoms in a molecule is described by a potential energy surface ( PES ), which is a function of 3 " N "  " 6 coordinates.
10. A point may be local minimum when it is lower in energy compared to its surrounding only or a global minimum which is the lowest energy point on the entire potential energy surface.