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

Internet

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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