Theoretical study of the magnetic properties of an SF6 molecule in non-uniform magnetic field

Perturbation theory has been applied to evaluate the induced electronic moments and magnetic field at the nuclei of an SF6 molecule interacting with an external magnetic field with a spatially uniform gradient. Contributions to magnetic susceptibility and magnetic shielding of the nuclei have been e...

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Guardado en:
Detalles Bibliográficos
Publicado: 1997
Materias:
Magnetic multipole
Magnetic susceptibility
Non-uniform magnetic field
Nuclear magnetic shielding
Acceso en línea:https://bibliotecadigital.exactas.uba.ar/collection/paper/document/paper_01661280_v390_n1-3_p47_Caputo
http://hdl.handle.net/20.500.12110/paper_01661280_v390_n1-3_p47_Caputo
Aporte de:
Biblioteca Digital - Facultad de Ciencias Exactas y Naturales (UBA) de Universidad de Buenos Aires
id paper:paper_01661280_v390_n1-3_p47_Caputo
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spelling paper:paper_01661280_v390_n1-3_p47_Caputo2023-06-08T15:15:17Z Theoretical study of the magnetic properties of an SF6 molecule in non-uniform magnetic field Magnetic multipole Magnetic susceptibility Non-uniform magnetic field Nuclear magnetic shielding Perturbation theory has been applied to evaluate the induced electronic moments and magnetic field at the nuclei of an SF6 molecule interacting with an external magnetic field with a spatially uniform gradient. Contributions to magnetic susceptibility and magnetic shielding of the nuclei have been evaluated using the random phase approximation within the framework of accurate Hartree-Fock zero order wavefuctions. The quality of the calculations has been judged by the fulfillment of sum rules for the origin dependence of the response properties. 1997 https://bibliotecadigital.exactas.uba.ar/collection/paper/document/paper_01661280_v390_n1-3_p47_Caputo http://hdl.handle.net/20.500.12110/paper_01661280_v390_n1-3_p47_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 Magnetic multipole
Magnetic susceptibility
Non-uniform magnetic field
Nuclear magnetic shielding
spellingShingle Magnetic multipole
Magnetic susceptibility
Non-uniform magnetic field
Nuclear magnetic shielding
Theoretical study of the magnetic properties of an SF6 molecule in non-uniform magnetic field
topic_facet Magnetic multipole
Magnetic susceptibility
Non-uniform magnetic field
Nuclear magnetic shielding
description Perturbation theory has been applied to evaluate the induced electronic moments and magnetic field at the nuclei of an SF6 molecule interacting with an external magnetic field with a spatially uniform gradient. Contributions to magnetic susceptibility and magnetic shielding of the nuclei have been evaluated using the random phase approximation within the framework of accurate Hartree-Fock zero order wavefuctions. The quality of the calculations has been judged by the fulfillment of sum rules for the origin dependence of the response properties.
title Theoretical study of the magnetic properties of an SF6 molecule in non-uniform magnetic field
title_short Theoretical study of the magnetic properties of an SF6 molecule in non-uniform magnetic field
title_full Theoretical study of the magnetic properties of an SF6 molecule in non-uniform magnetic field
title_fullStr Theoretical study of the magnetic properties of an SF6 molecule in non-uniform magnetic field
title_full_unstemmed Theoretical study of the magnetic properties of an SF6 molecule in non-uniform magnetic field
title_sort theoretical study of the magnetic properties of an sf6 molecule in non-uniform magnetic field
publishDate 1997
url https://bibliotecadigital.exactas.uba.ar/collection/paper/document/paper_01661280_v390_n1-3_p47_Caputo
http://hdl.handle.net/20.500.12110/paper_01661280_v390_n1-3_p47_Caputo
_version_ 1768545687259054080

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