| Article ID | Journal | Published Year | Pages | File Type |
|---|---|---|---|---|
| 976766 | Physica A: Statistical Mechanics and its Applications | 2010 | 9 Pages |
Abstract
In this work, we introduce a new analytical form based on the q-exponential function to build three-dimensional reactive surfaces. The quality of this new function is tested by fitting the ab initio potential energy surface (PES) to the ground state Na+HF reaction. The thermal rate constant and reactive probabilities were determined considering this new PES. The obtained properties agree with those found for other PES available in literature.
Keywords
Related Topics
Physical Sciences and Engineering
Mathematics
Mathematical Physics
Authors
Lucas R. Salviano, Cristiano S. Esteves, Heibbe C.B. de Oliveira, Kleber C. Mundim, Luciano Ribeiro, Ricardo Gargano,