dc.creatorFuentealba,
dc.date.accessioned2018-12-20T14:37:51Z
dc.date.available2018-12-20T14:37:51Z
dc.date.created2018-12-20T14:37:51Z
dc.date.issued1998
dc.identifierJournal of Molecular Structure: THEOCHEM, Volumen 433, Issue 1-3, 2018, Pages 113-118
dc.identifier01661280
dc.identifier10.1016/S0166-1280(98)00017-7
dc.identifierhttps://repositorio.uchile.cl/handle/2250/156721
dc.description.abstractThe hardness and softness quantities defined in density functional theory are discussed. A new scheme to calculate the hardness and softness hierarchies without resorting to the finite difference approximation is outlined. It is based in the relationship between the hardness and softness kernels and the linear response functions. As an example, the reactivity indices are extracted from an approximated model for the linear response function. © 1998 Published by Elsevier Science B.V. All rights reserved.
dc.languageen
dc.publisherElsevier
dc.rightshttp://creativecommons.org/licenses/by-nc-nd/3.0/cl/
dc.rightsAttribution-NonCommercial-NoDerivs 3.0 Chile
dc.sourceJournal of Molecular Structure: THEOCHEM
dc.subjectDensity functional theory
dc.subjectLinear response functions
dc.subjectSoftness and hardness
dc.titleReactivity indices and response functions in density functional theory
dc.typeArtículo de revista


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