Sum rules for invariance of the fourth-rank hypermagnetisability in a gauge translation

The conditions for invariance in a gauge translation of the fourth-rank molecular hypermagnetisability tensor, introduced to rationalize the cubic response of a molecule in the presence of an external magnetic field, are discussed in terms of quantum mechanical sum rules. Eight relationships, connec...

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Autores principales: Pagola, G.I., Caputo, M.C., Ferraro, M.B., Lazzeretti, P.
Formato: JOUR
Materias:
Calculations
Eigenvalues and eigenfunctions
Gages
Magnetic fields
Mathematical models
Polarization
Quantum theory
Tensors
Energy invariant
Gauge translation
Hypermagnetisability
Sum rules
Molecules
Acceso en línea:http://hdl.handle.net/20.500.12110/paper_00092614_v408_n4-6_p403_Pagola
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Biblioteca Digital - Facultad de Ciencias Exactas y Naturales (UBA) de Universidad de Buenos Aires
id todo:paper_00092614_v408_n4-6_p403_Pagola
record_format dspace
spelling todo:paper_00092614_v408_n4-6_p403_Pagola2023-10-03T14:08:23Z Sum rules for invariance of the fourth-rank hypermagnetisability in a gauge translation Pagola, G.I. Caputo, M.C. Ferraro, M.B. Lazzeretti, P. Calculations Eigenvalues and eigenfunctions Gages Magnetic fields Mathematical models Polarization Quantum theory Tensors Energy invariant Gauge translation Hypermagnetisability Sum rules Molecules The conditions for invariance in a gauge translation of the fourth-rank molecular hypermagnetisability tensor, introduced to rationalize the cubic response of a molecule in the presence of an external magnetic field, are discussed in terms of quantum mechanical sum rules. Eight relationships, connecting electric dipole polarisability, polarisability of magnetisability, and other third- and fourth-rank tensors that can be regarded as intrinsic molecular properties tout court, have been obtained. Numerical tests have been carried out to determine the Hartree-Fock limit for the sum-rules in a set of small molecules. © 2005 Elsevier B.V. All rights reserved. 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_00092614_v408_n4-6_p403_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 Calculations
Eigenvalues and eigenfunctions
Gages
Magnetic fields
Mathematical models
Polarization
Quantum theory
Tensors
Energy invariant
Gauge translation
Hypermagnetisability
Sum rules
Molecules
spellingShingle Calculations
Eigenvalues and eigenfunctions
Gages
Magnetic fields
Mathematical models
Polarization
Quantum theory
Tensors
Energy invariant
Gauge translation
Hypermagnetisability
Sum rules
Molecules
Pagola, G.I.
Caputo, M.C.
Ferraro, M.B.
Lazzeretti, P.
Sum rules for invariance of the fourth-rank hypermagnetisability in a gauge translation
topic_facet Calculations
Eigenvalues and eigenfunctions
Gages
Magnetic fields
Mathematical models
Polarization
Quantum theory
Tensors
Energy invariant
Gauge translation
Hypermagnetisability
Sum rules
Molecules
description The conditions for invariance in a gauge translation of the fourth-rank molecular hypermagnetisability tensor, introduced to rationalize the cubic response of a molecule in the presence of an external magnetic field, are discussed in terms of quantum mechanical sum rules. Eight relationships, connecting electric dipole polarisability, polarisability of magnetisability, and other third- and fourth-rank tensors that can be regarded as intrinsic molecular properties tout court, have been obtained. Numerical tests have been carried out to determine the Hartree-Fock limit for the sum-rules in a set of small molecules. © 2005 Elsevier B.V. All rights reserved.
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 Sum rules for invariance of the fourth-rank hypermagnetisability in a gauge translation
title_short Sum rules for invariance of the fourth-rank hypermagnetisability in a gauge translation
title_full Sum rules for invariance of the fourth-rank hypermagnetisability in a gauge translation
title_fullStr Sum rules for invariance of the fourth-rank hypermagnetisability in a gauge translation
title_full_unstemmed Sum rules for invariance of the fourth-rank hypermagnetisability in a gauge translation
title_sort sum rules for invariance of the fourth-rank hypermagnetisability in a gauge translation
url http://hdl.handle.net/20.500.12110/paper_00092614_v408_n4-6_p403_Pagola
work_keys_str_mv AT pagolagi sumrulesforinvarianceofthefourthrankhypermagnetisabilityinagaugetranslation
AT caputomc sumrulesforinvarianceofthefourthrankhypermagnetisabilityinagaugetranslation
AT ferraromb sumrulesforinvarianceofthefourthrankhypermagnetisabilityinagaugetranslation
AT lazzerettip sumrulesforinvarianceofthefourthrankhypermagnetisabilityinagaugetranslation
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