Nonlinear response of the benzene molecule to strong magnetic fields

Mostrar todas las versiones(3)

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...

Descripción completa

Guardado en:

Detalles Bibliográficos
Autores principales:	Pagola, G.I., Caputo, M.C., Ferraro, M.B., Lazzeretti, P.
Formato:	Artículo publishedVersion
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:	http://hdl.handle.net/20.500.12110/paper_00219606_v122_n7_p_Pagola https://repositoriouba.sisbi.uba.ar/gsdl/cgi-bin/library.cgi?a=d&c=artiaex&d=paper_00219606_v122_n7_p_Pagola_oai
Aporte de:	Repositorio Digital de la Universidad de Buenos Aires (UBA) de Universidad de Buenos Aires

id	I28-R145-paper_00219606_v122_n7_p_Pagola_oai
record_format	dspace
spelling	I28-R145-paper_00219606_v122_n7_p_Pagola_oai2024-08-16 Pagola, G.I. Caputo, M.C. Ferraro, M.B. Lazzeretti, P. 2005 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. application/pdf http://hdl.handle.net/20.500.12110/paper_00219606_v122_n7_p_Pagola info:eu-repo/semantics/openAccess http://creativecommons.org/licenses/by/2.5/ar J Chem Phys 2005;122(7) Charge density Feedback effects Lorentz force Tensor components Convergence of numerical methods Current density Electric charge Feedback Magnetic fields Magnetization Tensors Benzene Nonlinear response of the benzene molecule to strong magnetic fields info:eu-repo/semantics/article info:ar-repo/semantics/artículo info:eu-repo/semantics/publishedVersion https://repositoriouba.sisbi.uba.ar/gsdl/cgi-bin/library.cgi?a=d&c=artiaex&d=paper_00219606_v122_n7_p_Pagola_oai
institution	Universidad de Buenos Aires
institution_str	I-28
repository_str	R-145
collection	Repositorio Digital de la Universidad de Buenos Aires (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	Artículo Artículo publishedVersion
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
publishDate	2005
url	http://hdl.handle.net/20.500.12110/paper_00219606_v122_n7_p_Pagola https://repositoriouba.sisbi.uba.ar/gsdl/cgi-bin/library.cgi?a=d&c=artiaex&d=paper_00219606_v122_n7_p_Pagola_oai
work_keys_str_mv	AT pagolagi nonlinearresponseofthebenzenemoleculetostrongmagneticfields AT caputomc nonlinearresponseofthebenzenemoleculetostrongmagneticfields AT ferraromb nonlinearresponseofthebenzenemoleculetostrongmagneticfields AT lazzerettip nonlinearresponseofthebenzenemoleculetostrongmagneticfields
_version_	1809356782188888064

Nonlinear response of the benzene molecule to strong magnetic fields

Ejemplares similares