Comment on "The diatomic dication CuZn<SUP>2+</SUP> in the gas phase" [J. Chem. Phys. 135, 034306 (2011)]
In this Comment, the density functional theory (DFT) calculations carried out by Diez [J. Chem. Phys. 135, 034306 (2011)10.1063/1.3613624] are revised within the framework of the coupled-cluster single double triple method. These more sophisticated calculations allow us to show that the 2Σ + electro...
Guardado en:
| Autores principales: | Fišer, Jiri, Pis Diez, Reinaldo, Franzreb, Klaus, Alonso, Julio A. |
|---|---|
| Formato: | Articulo Revision |
| Lenguaje: | Inglés |
| Publicado: |
2013
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| Materias: | |
| Acceso en línea: | http://sedici.unlp.edu.ar/handle/10915/85115 |
| Aporte de: |
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