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Linear Response Function of Bond-Order

We present the linear response function of bond-orders (LRF-BO) based on a real space integration scheme for molecular systems. As in the case of the LRF of density, the LRF-BO is defined as the response of the bond order of the molecule for the virtual perturbation. Our calculations show that the L...

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Detalles Bibliográficos
Autores principales:	Suzuki, Nayuta, Mitsuta, Yuki, Okumura, Mitsutaka, Yamanaka, Shusuke
Formato:	Online Artículo Texto
Lenguaje:	English
Publicado:	MDPI 2016
Materias:	Article
Acceso en línea:	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5133780/ https://www.ncbi.nlm.nih.gov/pubmed/27792148 http://dx.doi.org/10.3390/ijms17111779

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