2 papers
physics.chem-ph2005
A genetic algorithm to build diatomic potentials
Luiz Fernando Roncaratti, Ricardo Gargano, Geraldo Magela e Silva
Several types of numerical and combinatorial optimization algorithms have been used as useful tools to minimize functional forms. Generally, when those forms are non-linear or occu…
physics.comp-ph2005
Fitting potential energy surface of reactive system via genetic algorithm
Wiliam Ferreira da Cunha, Luiz Fernando Roncaratti, Ricardo Gargano +1
In this work, we present a new fitting of the Na+HF potential energy surface (PES) utilizing a new optmization method based in Genetic Algorithm. Topology studies, such as isoenerg…