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dc.provenanceFacultad de Ciencias Exactas y Naturales de la UBA-
dc.contributor<div class="autor_fcen" id="6361">Pagola, G.I.</div>-
dc.contributor<div class="autor_fcen" id="1469">Caputo, M.C.</div>-
dc.contributor<div class="autor_fcen" id="3115">Ferraro, M.B.</div>-
dc.contributorLazzeretti, P.-
dc.creator<div class="autor_fcen" id="6361">Pagola, G.I.</div>-
dc.creator<div class="autor_fcen" id="1469">Caputo, M.C.</div>-
dc.creator<div class="autor_fcen" id="3115">Ferraro, M.B.</div>-
dc.creatorLazzeretti, P.-
dc.date.accessioned2018-05-04T22:04:21Z-
dc.date.accessioned2018-05-28T15:47:49Z-
dc.date.available2018-05-04T22:04:21Z-
dc.date.available2018-05-28T15:47:49Z-
dc.date.issued2005-
dc.identifier.urihttp://10.0.0.11:8080/jspui/handle/bnmm/68362-
dc.descriptionThe fourth-rank hypermagnetizability tensor of the benzene molecule has been evaluated at the coupled Hartree-Fock level of accuracy within the conventional common-origin approach, adopting gaugeless basis sets of increasing size and flexibility. The degree of convergence of theoretical tensor components has been estimated allowing for two different coordinate systems. It is shown that a strong magnetic field perpendicular to the plane of the molecule causes a distortion of the electron charge density, which tends to concentrate in the region of the C-C bonds. This charge contraction has a dynamical origin, and can be interpreted as a feedback effect in terms of the classical Lorentz force acting on the electron current density.-
dc.descriptionFil:Pagola, G.I. Universidad de Buenos Aires. Facultad de Ciencias Exactas y Naturales; Argentina.-
dc.descriptionFil:Caputo, M.C. Universidad de Buenos Aires. Facultad de Ciencias Exactas y Naturales; Argentina.-
dc.descriptionFil:Ferraro, M.B. Universidad de Buenos Aires. Facultad de Ciencias Exactas y Naturales; Argentina.-
dc.formatapplication/pdf-
dc.languageeng-
dc.rightsinfo:eu-repo/semantics/openAccess-
dc.rightshttp://creativecommons.org/licenses/by/2.5/ar-
dc.sourceJ Chem Phys 2005;122(7)-
dc.source.urihttp://digital.bl.fcen.uba.ar/Download/paper/paper_00219606_v122_n7_p_Pagola.pdf-
dc.subjectCharge density-
dc.subjectFeedback effects-
dc.subjectLorentz force-
dc.subjectTensor components-
dc.subjectConvergence of numerical methods-
dc.subjectCurrent density-
dc.subjectElectric charge-
dc.subjectFeedback-
dc.subjectMagnetic fields-
dc.subjectMagnetization-
dc.subjectTensors-
dc.subjectBenzene-
dc.titleNonlinear response of the benzene molecule to strong magnetic fields-
dc.typeinfo:eu-repo/semantics/article-
dc.typeinfo:ar-repo/semantics/artículo-
dc.typeinfo:eu-repo/semantics/publishedVersion-
Aparece en las colecciones: FCEN - Facultad de Ciencias Exactas y Naturales. UBA

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