Cargando…
Theoretical Investigation on Nearsightedness of Finite Model and Molecular Systems Based on Linear Response Function Analysis
We examined nearsightedness of electronic matter (NEM) of finite systems on the basis of linear response function (LRF). From the computational results of a square-well model system, the behavior of responses obviously depends on the number of electrons (N): as N increases, LRF, δρ(r)/δv(r′), decays...
Autores principales: | Mitsuta, Yuki, Yamanaka, Shusuke, Yamaguchi, Kizashi, Okumura, Mitsutaka, Nakamura, Haruki |
---|---|
Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
MDPI
2014
|
Materias: | |
Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6271732/ https://www.ncbi.nlm.nih.gov/pubmed/25178060 http://dx.doi.org/10.3390/molecules190913358 |
Ejemplares similares
-
Linear Response Functions of Densities and Spin Densities for Systematic Modeling of the QM/MM Approach for Mono- and Poly-Nuclear Transition Metal Systems
por: Kitakawa, Colin K., et al.
Publicado: (2019) -
Linear Response Function of Bond-Order
por: Suzuki, Nayuta, et al.
Publicado: (2016) -
Automated Exploration of Free Energy Landscapes Based on Umbrella Integration
por: Mitsuta, Yuki, et al.
Publicado: (2018) -
Dielectric Jump and Negative Electrostriction in Metallosupramolecular Ionic Crystals
por: Yamashita, Satoshi, et al.
Publicado: (2018) -
Hydrogen bond donors and acceptors are generally depolarized in α‐helices as revealed by a molecular tailoring approach
por: Kondo, Hiroko X., et al.
Publicado: (2019)