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...
| Publicado: |
2014
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| Materias: | |
| Acceso en línea: | https://bibliotecadigital.exactas.uba.ar/collection/paper/document/paper_02599791_v53_n1_p236_Fernandez http://hdl.handle.net/20.500.12110/paper_02599791_v53_n1_p236_Fernandez |
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