Nonlinear response of the benzene molecule to strong magnetic fields

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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Detalles Bibliográficos
Autores principales:	Pagola, Gabriel Ignacio, Caputo, María Cristina, Ferraro, Marta Beatriz
Publicado:	2005
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:	https://bibliotecadigital.exactas.uba.ar/collection/paper/document/paper_00219606_v122_n7_p_Pagola 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	paper:paper_00219606_v122_n7_p_Pagola
record_format	dspace
spelling	paper:paper_00219606_v122_n7_p_Pagola2023-06-08T14:44:08Z Nonlinear response of the benzene molecule to strong magnetic fields Pagola, Gabriel Ignacio Caputo, María Cristina Ferraro, Marta Beatriz 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. 2005 https://bibliotecadigital.exactas.uba.ar/collection/paper/document/paper_00219606_v122_n7_p_Pagola 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, Gabriel Ignacio Caputo, María Cristina Ferraro, Marta Beatriz 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.
author	Pagola, Gabriel Ignacio Caputo, María Cristina Ferraro, Marta Beatriz
author_facet	Pagola, Gabriel Ignacio Caputo, María Cristina Ferraro, Marta Beatriz
author_sort	Pagola, Gabriel Ignacio
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
publishDate	2005
url	https://bibliotecadigital.exactas.uba.ar/collection/paper/document/paper_00219606_v122_n7_p_Pagola http://hdl.handle.net/20.500.12110/paper_00219606_v122_n7_p_Pagola
work_keys_str_mv	AT pagolagabrielignacio nonlinearresponseofthebenzenemoleculetostrongmagneticfields AT caputomariacristina nonlinearresponseofthebenzenemoleculetostrongmagneticfields AT ferraromartabeatriz nonlinearresponseofthebenzenemoleculetostrongmagneticfields
_version_	1768544487979614208

Nonlinear response of the benzene molecule to strong magnetic fields

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