Electronic densities in systems with fractionally charged nuclei: a symmetry breaking study
This work reports an extension of the recent study on changes of electronic structures in systems possessing nuclei with fractional charges (Cohen and Mori-Sánchez in J Chem Phys 140:044110, 2014). Using the simple Hückel framework we show that the introduction of fractional charges in molecular sys...
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| Autores principales: | Fernández, F.M., Alcoba, D.R., Oña, O.B., Torre, A., Lain, L. |
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| Formato: | JOUR |
| Materias: | |
| Acceso en línea: | http://hdl.handle.net/20.500.12110/paper_02599791_v53_n1_p236_Fernandez |
| Aporte de: |
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