6. Glossary

ARTn; ARTn

ARTn, which stands for activation-relaxation technique nouveau, is a simulation method used to explore the potential energy surface of an atomic structure. It can be used to search for saddle points and characterize the kinetics of atomic dynamics.

Minimum; Minimum

An energy minimum in an atomic system refers to a stable, i.e. low-energy, state that the system can reach. The energy minimum represents an atomic configuration where the atoms are in a stable arrangement, likely to be observed experimentally. In the context of the potential energy surface, the energy minimum corresponds to a valley in the potential energy surface.

Point selle; Saddle point

A saddle point is a state located between two points of minimum energy, representing a transition when...