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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1994
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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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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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1768545292913737728 |