Has experience in Chemistry, focusing on Theorical Chemistry (Source: Lattes Curriculum)
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Potential energy curves for the ground and excited states of diatomic molecules containing cobalt will be obtained with multireference coupled-cluster methods. These molecules have electronic structure of difficult characterization, because of their large multirerefence character and the existence of several low-lying excited states. Traditional methods of computational chemistry do not g…
Theoretical characterization of a manifold of electronic states correlating with the lowest-lying dissociation channels of the SrS system using a state-of-the-art methodology in the area (CASSCF/MRCI). Potential energy curves over a wide range of internuclear distances, and the associated spectroscopic parameters will be obtained. The states polarities will be analyzed through the dipole …
During the first years of PhD project we proposed a set of approaches to generate multiconfigurational reference wave functions able to describe both ground and excited states for molecules containing transition metals, without the need of a double d-shell active space. The use of these wave functions as reference in more correlated methods results in accurate descriptions of the electron…
| 2 / 2 | Completed scholarships in Brazil |
| 1 / 1 | Completed scholarships abroad |
| 3 / 3 | All Scholarships |
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