Quantum mechanical response of coupled metallic slabs

Autor:	Vito Despoja, Leonardo Marušić, Marijan Šunjić
Rok vydání:	2006
Předmět:	Electron density Chemistry Jellium Response function Correlation energy Coupled slabs Charge (physics) Electron Condensed Matter Physics Molecular physics Polarizability Quantum mechanics Physics::Atomic and Molecular Clusters Coulomb General Materials Science Density functional theory Quantum
Zdroj:	Journal of Physics: Condensed Matter. 18:8217-8228
ISSN:	1361-648X 0953-8984
DOI:	10.1088/0953-8984/18/35/009
Popis:	The nonlocal dynamical polarisability of two arbitrarily shaped objects coupled by long-range Coulomb forces, when overlap of their electron densities is negligible, is calculated by expressing it in terms of the response functions of separate objects. That enables us to extend the Density Functional Theory approach within the Kohn-Sham scheme to such systems. The method is applied to the system consisting of two metallic slabs within the jellium model. The obtained response function of the total system is used to calculate the correlation energy of a static test charge placed in the system.
Databáze:	OpenAIRE
Externí odkaz:	https://explore.openaire.eu/search/publication?articleId=doi_dedup___::67847e8eefe60cba75a4a128b3a7bea7 https://doi.org/10.1088/0953-8984/18/35/009 Zobrazit plný text záznamu