Calculation of third-rank molecular hypermagnetizabilities by continuous transformation of the origin of the current density

Third-rank molecular hypermagnetizabilities were calculated based on continuous transformation of the origin of current density induced by a perturbing electromagnetic field. The results were found to depend linearly on a shift of origin. A permutation symmetry condition of tensor indices produced a...

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Detalles Bibliográficos
Autores principales:	Caputo, M.C., Lazzeretti, P.
Formato:	JOUR
Materias:	Computational methods Current density Diamagnetism Electromagnetic field effects Magnetic susceptibility Paramagnetism Tensors Hypermagnetizability Molecular physics
Acceso en línea:	http://hdl.handle.net/20.500.12110/paper_00219606_v116_n22_p9611_Caputo
Aporte de:	Biblioteca Digital - Facultad de Ciencias Exactas y Naturales (UBA) de Universidad de Buenos Aires

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spelling	todo:paper_00219606_v116_n22_p9611_Caputo2023-10-03T14:24:01Z Calculation of third-rank molecular hypermagnetizabilities by continuous transformation of the origin of the current density Caputo, M.C. Lazzeretti, P. Computational methods Current density Diamagnetism Electromagnetic field effects Magnetic susceptibility Paramagnetism Tensors Hypermagnetizability Molecular physics Third-rank molecular hypermagnetizabilities were calculated based on continuous transformation of the origin of current density induced by a perturbing electromagnetic field. The results were found to depend linearly on a shift of origin. A permutation symmetry condition of tensor indices produced a natural criterion for the near-Hartree-Fock quality of computed values. JOUR info:eu-repo/semantics/openAccess http://creativecommons.org/licenses/by/2.5/ar http://hdl.handle.net/20.500.12110/paper_00219606_v116_n22_p9611_Caputo
institution	Universidad de Buenos Aires
institution_str	I-28
repository_str	R-134
collection	Biblioteca Digital - Facultad de Ciencias Exactas y Naturales (UBA)
topic	Computational methods Current density Diamagnetism Electromagnetic field effects Magnetic susceptibility Paramagnetism Tensors Hypermagnetizability Molecular physics
spellingShingle	Computational methods Current density Diamagnetism Electromagnetic field effects Magnetic susceptibility Paramagnetism Tensors Hypermagnetizability Molecular physics Caputo, M.C. Lazzeretti, P. Calculation of third-rank molecular hypermagnetizabilities by continuous transformation of the origin of the current density
topic_facet	Computational methods Current density Diamagnetism Electromagnetic field effects Magnetic susceptibility Paramagnetism Tensors Hypermagnetizability Molecular physics
description	Third-rank molecular hypermagnetizabilities were calculated based on continuous transformation of the origin of current density induced by a perturbing electromagnetic field. The results were found to depend linearly on a shift of origin. A permutation symmetry condition of tensor indices produced a natural criterion for the near-Hartree-Fock quality of computed values.
format	JOUR
author	Caputo, M.C. Lazzeretti, P.
author_facet	Caputo, M.C. Lazzeretti, P.
author_sort	Caputo, M.C.
title	Calculation of third-rank molecular hypermagnetizabilities by continuous transformation of the origin of the current density
title_short	Calculation of third-rank molecular hypermagnetizabilities by continuous transformation of the origin of the current density
title_full	Calculation of third-rank molecular hypermagnetizabilities by continuous transformation of the origin of the current density
title_fullStr	Calculation of third-rank molecular hypermagnetizabilities by continuous transformation of the origin of the current density
title_full_unstemmed	Calculation of third-rank molecular hypermagnetizabilities by continuous transformation of the origin of the current density
title_sort	calculation of third-rank molecular hypermagnetizabilities by continuous transformation of the origin of the current density
url	http://hdl.handle.net/20.500.12110/paper_00219606_v116_n22_p9611_Caputo
work_keys_str_mv	AT caputomc calculationofthirdrankmolecularhypermagnetizabilitiesbycontinuoustransformationoftheoriginofthecurrentdensity AT lazzerettip calculationofthirdrankmolecularhypermagnetizabilitiesbycontinuoustransformationoftheoriginofthecurrentdensity
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Calculation of third-rank molecular hypermagnetizabilities by continuous transformation of the origin of the current density

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