Can induced orbital paramagnetism be controlled by strong magnetic fields?

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Magnetic hypersusceptibilities and hypershielding at the nuclei of BH, CH+,C4H4, and C8H8 molecules in the presence of an external spatially uniform, time-independent magnetic field have been investigated accounting for cubic response contributions via Rayleigh-Schrödinger perturbation theory. Numer...

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Detalles Bibliográficos
Autores principales: Pagola, Gabriel Ignacio, Ferraro, Marta Beatriz
Publicado: 2009
Acceso en línea:https://bibliotecadigital.exactas.uba.ar/collection/paper/document/paper_15499618_v5_n11_p3049_Pagola
http://hdl.handle.net/20.500.12110/paper_15499618_v5_n11_p3049_Pagola
Aporte de:
Biblioteca Digital - Facultad de Ciencias Exactas y Naturales (UBA) de Universidad de Buenos Aires
id paper:paper_15499618_v5_n11_p3049_Pagola
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spelling paper:paper_15499618_v5_n11_p3049_Pagola2023-06-08T16:21:28Z Can induced orbital paramagnetism be controlled by strong magnetic fields? Pagola, Gabriel Ignacio Ferraro, Marta Beatriz Magnetic hypersusceptibilities and hypershielding at the nuclei of BH, CH+,C4H4, and C8H8 molecules in the presence of an external spatially uniform, time-independent magnetic field have been investigated accounting for cubic response contributions via Rayleigh-Schrödinger perturbation theory. Numerical estimates have been obtained at the coupled Hartree-Fock and density-functional levels of theory within the conventional common-origin approach, using extended gaugeless basis sets. The fundamental role of electron correlation effects was assessed. Critical values of the applied magnetic field at which transition from paramagnetic to diamagnetic behavior would occur were estimated. It is shown that perturbative methods may successfully be employed to estimate the interaction energy for big cyclic molecules. © 2009 American Chemical Society. Fil:Pagola, G.I. Universidad de Buenos Aires. Facultad de Ciencias Exactas y Naturales; Argentina. Fil:Ferraro, M.B. Universidad de Buenos Aires. Facultad de Ciencias Exactas y Naturales; Argentina. 2009 https://bibliotecadigital.exactas.uba.ar/collection/paper/document/paper_15499618_v5_n11_p3049_Pagola http://hdl.handle.net/20.500.12110/paper_15499618_v5_n11_p3049_Pagola
institution Universidad de Buenos Aires
institution_str I-28
repository_str R-134
collection Biblioteca Digital - Facultad de Ciencias Exactas y Naturales (UBA)
description Magnetic hypersusceptibilities and hypershielding at the nuclei of BH, CH+,C4H4, and C8H8 molecules in the presence of an external spatially uniform, time-independent magnetic field have been investigated accounting for cubic response contributions via Rayleigh-Schrödinger perturbation theory. Numerical estimates have been obtained at the coupled Hartree-Fock and density-functional levels of theory within the conventional common-origin approach, using extended gaugeless basis sets. The fundamental role of electron correlation effects was assessed. Critical values of the applied magnetic field at which transition from paramagnetic to diamagnetic behavior would occur were estimated. It is shown that perturbative methods may successfully be employed to estimate the interaction energy for big cyclic molecules. © 2009 American Chemical Society.
author Pagola, Gabriel Ignacio
Ferraro, Marta Beatriz
spellingShingle Pagola, Gabriel Ignacio
Ferraro, Marta Beatriz
Can induced orbital paramagnetism be controlled by strong magnetic fields?
author_facet Pagola, Gabriel Ignacio
Ferraro, Marta Beatriz
author_sort Pagola, Gabriel Ignacio
title Can induced orbital paramagnetism be controlled by strong magnetic fields?
title_short Can induced orbital paramagnetism be controlled by strong magnetic fields?
title_full Can induced orbital paramagnetism be controlled by strong magnetic fields?
title_fullStr Can induced orbital paramagnetism be controlled by strong magnetic fields?
title_full_unstemmed Can induced orbital paramagnetism be controlled by strong magnetic fields?
title_sort can induced orbital paramagnetism be controlled by strong magnetic fields?
publishDate 2009
url https://bibliotecadigital.exactas.uba.ar/collection/paper/document/paper_15499618_v5_n11_p3049_Pagola
http://hdl.handle.net/20.500.12110/paper_15499618_v5_n11_p3049_Pagola
work_keys_str_mv AT pagolagabrielignacio caninducedorbitalparamagnetismbecontrolledbystrongmagneticfields
AT ferraromartabeatriz caninducedorbitalparamagnetismbecontrolledbystrongmagneticfields
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