Theoretical study of the magnetic properties of a methane molecule in a nonuniform magnetic field

Contributions to magnetic susceptibility and magnetic shielding of the nuclei, arising from electronic magnetic-quadrupole moments interacting with a magnetic field with a spatially uniform gradient, have been determined for a methane molecule, by a large-basis-set calculations within the random-pha...

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Publicado: 1994
Acceso en línea:https://bibliotecadigital.exactas.uba.ar/collection/paper/document/paper_10502947_v49_n5_p3445_Caputo
http://hdl.handle.net/20.500.12110/paper_10502947_v49_n5_p3445_Caputo
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spelling paper:paper_10502947_v49_n5_p3445_Caputo2023-06-08T16:01:38Z Theoretical study of the magnetic properties of a methane molecule in a nonuniform magnetic field Contributions to magnetic susceptibility and magnetic shielding of the nuclei, arising from electronic magnetic-quadrupole moments interacting with a magnetic field with a spatially uniform gradient, have been determined for a methane molecule, by a large-basis-set calculations within the random-phase approximation. The Hartree-Fock limit of accuracy has been achieved and the quality of the calculations has been confirmed via tests based on sum rules for the origin dependence of the response properties. © 1994 The American Physical Society. 1994 https://bibliotecadigital.exactas.uba.ar/collection/paper/document/paper_10502947_v49_n5_p3445_Caputo http://hdl.handle.net/20.500.12110/paper_10502947_v49_n5_p3445_Caputo
institution Universidad de Buenos Aires
institution_str I-28
repository_str R-134
collection Biblioteca Digital - Facultad de Ciencias Exactas y Naturales (UBA)
description Contributions to magnetic susceptibility and magnetic shielding of the nuclei, arising from electronic magnetic-quadrupole moments interacting with a magnetic field with a spatially uniform gradient, have been determined for a methane molecule, by a large-basis-set calculations within the random-phase approximation. The Hartree-Fock limit of accuracy has been achieved and the quality of the calculations has been confirmed via tests based on sum rules for the origin dependence of the response properties. © 1994 The American Physical Society.
title Theoretical study of the magnetic properties of a methane molecule in a nonuniform magnetic field
spellingShingle Theoretical study of the magnetic properties of a methane molecule in a nonuniform magnetic field
title_short Theoretical study of the magnetic properties of a methane molecule in a nonuniform magnetic field
title_full Theoretical study of the magnetic properties of a methane molecule in a nonuniform magnetic field
title_fullStr Theoretical study of the magnetic properties of a methane molecule in a nonuniform magnetic field
title_full_unstemmed Theoretical study of the magnetic properties of a methane molecule in a nonuniform magnetic field
title_sort theoretical study of the magnetic properties of a methane molecule in a nonuniform magnetic field
publishDate 1994
url https://bibliotecadigital.exactas.uba.ar/collection/paper/document/paper_10502947_v49_n5_p3445_Caputo
http://hdl.handle.net/20.500.12110/paper_10502947_v49_n5_p3445_Caputo
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