Nonlinear response of the benzene molecule to strong magnetic fields

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The 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 compo...

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Autores principales: Pagola, G.I., Caputo, M.C., Ferraro, M.B., Lazzeretti, P.
Formato: JOUR
Materias:
Charge density
Feedback effects
Lorentz force
Tensor components
Convergence of numerical methods
Current density
Electric charge
Feedback
Magnetic fields
Magnetization
Tensors
Benzene
Acceso en línea:http://hdl.handle.net/20.500.12110/paper_00219606_v122_n7_p_Pagola
Aporte de:
Biblioteca Digital - Facultad de Ciencias Exactas y Naturales (UBA) de Universidad de Buenos Aires
id todo:paper_00219606_v122_n7_p_Pagola
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spelling todo:paper_00219606_v122_n7_p_Pagola2023-10-03T14:24:07Z Nonlinear response of the benzene molecule to strong magnetic fields Pagola, G.I. Caputo, M.C. Ferraro, M.B. Lazzeretti, P. Charge density Feedback effects Lorentz force Tensor components Convergence of numerical methods Current density Electric charge Feedback Magnetic fields Magnetization Tensors Benzene The 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. Fil:Pagola, G.I. Universidad de Buenos Aires. Facultad de Ciencias Exactas y Naturales; Argentina. Fil:Caputo, M.C. 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. JOUR info:eu-repo/semantics/openAccess http://creativecommons.org/licenses/by/2.5/ar http://hdl.handle.net/20.500.12110/paper_00219606_v122_n7_p_Pagola
institution Universidad de Buenos Aires
institution_str I-28
repository_str R-134
collection Biblioteca Digital - Facultad de Ciencias Exactas y Naturales (UBA)
topic Charge density
Feedback effects
Lorentz force
Tensor components
Convergence of numerical methods
Current density
Electric charge
Feedback
Magnetic fields
Magnetization
Tensors
Benzene
spellingShingle Charge density
Feedback effects
Lorentz force
Tensor components
Convergence of numerical methods
Current density
Electric charge
Feedback
Magnetic fields
Magnetization
Tensors
Benzene
Pagola, G.I.
Caputo, M.C.
Ferraro, M.B.
Lazzeretti, P.
Nonlinear response of the benzene molecule to strong magnetic fields
topic_facet Charge density
Feedback effects
Lorentz force
Tensor components
Convergence of numerical methods
Current density
Electric charge
Feedback
Magnetic fields
Magnetization
Tensors
Benzene
description The 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.
format JOUR
author Pagola, G.I.
Caputo, M.C.
Ferraro, M.B.
Lazzeretti, P.
author_facet Pagola, G.I.
Caputo, M.C.
Ferraro, M.B.
Lazzeretti, P.
author_sort Pagola, G.I.
title Nonlinear response of the benzene molecule to strong magnetic fields
title_short Nonlinear response of the benzene molecule to strong magnetic fields
title_full Nonlinear response of the benzene molecule to strong magnetic fields
title_fullStr Nonlinear response of the benzene molecule to strong magnetic fields
title_full_unstemmed Nonlinear response of the benzene molecule to strong magnetic fields
title_sort nonlinear response of the benzene molecule to strong magnetic fields
url http://hdl.handle.net/20.500.12110/paper_00219606_v122_n7_p_Pagola
work_keys_str_mv AT pagolagi nonlinearresponseofthebenzenemoleculetostrongmagneticfields
AT caputomc nonlinearresponseofthebenzenemoleculetostrongmagneticfields
AT ferraromb nonlinearresponseofthebenzenemoleculetostrongmagneticfields
AT lazzerettip nonlinearresponseofthebenzenemoleculetostrongmagneticfields
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