Combining quantum and classical density functional theory for ion-electron mixtures

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dc.creatorLouis, A. A.
dc.creatorXu, H.
dc.creatorAnta, J. A.
dc.date2001-10-18
dc.date.accessioned2026-07-07T02:43:12Z
dc.date.available2026-07-07T02:43:12Z
dc.descriptionWe combine techniques from quantum and from classical density functional theory (DFT) to describe electron-ion mixtures. For homogeneous systems, we show how to calculate ion-ion and ion-electron correlation functions within Chihara's quantum hypernetted chain approximation, which we derive within a DFT formulation. We also sketch out how to apply the DFT formulation to inhomogeneous electron-ion mixtures, and use this to study the electron distribution at the liquid-solid interface of Al.
dc.descriptionto be published in J. Non-Cryst. Solids, LAM 11 special issue
dc.identifierhttps://arxiv.org/abs/cond-mat/0110386
dc.identifierhttp://arxiv.org/abs/cond-mat/0110386
dc.identifierJ. Non-Cryst. Solids 312-314C, 60 (2002)
dc.identifierdoi:10.1016/S0022-3093(02)01650-2
dc.identifier.urihttp://salesiana.dossiersoluciones.com/handle/123456789/18406
dc.subjectMaterials Science
dc.subjectStatistical Mechanics
dc.titleCombining quantum and classical density functional theory for ion-electron mixtures
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