3 papers
Vibrational spectrum of the H5+ molecule using quantum Monte Carlo
Washington Barbosa da Silva, Luiz Roncaratti, Geraldo Magela e Silva +1
In this article we present a caracterization of the vibrational spectrum of the H5+ molecule using the correlation function quantum Monte Carlo (CFQMC) method and a genetic algorit…
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…
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…