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Koopmans' Analysis of Chemical Hardness with Spectral-Like Resolution
Three approximation levels of Koopmans' theorem are explored and applied: the first referring to the inner quantum behavior of the orbitalic energies that depart from the genuine ones in Fock space when the wave-functions' Hilbert-Banach basis set is specified to solve the many-electronic...
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| Formato: | Online Artículo Texto |
| Lenguaje: | English |
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Hindawi Publishing Corporation
2013
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| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3732625/ https://www.ncbi.nlm.nih.gov/pubmed/23970834 http://dx.doi.org/10.1155/2013/348415 |