Activation–Relaxation Technique: An efficient way to find minima and saddle points of potential energy surfaces

The Activation–Relaxation Technique (ARTn) is an efficient technique for finding the minima and saddle points of multidimensional functions such as potential energy surface atomic systems in chemistry. In this work we detail illustrate significant improvements made to algorithm, regarding both preprocessing activation process itself. As showcased, these advances significantly reduce ARTn computational costs, especially when applied with ab initio description. With modifications, establishes itself a very method exploring landscape chemical reactions associated complex mechanisms.