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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| Acceso en línea: | http://hdl.handle.net/20.500.12110/paper_10502947_v49_n5_p3445_Caputo |
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todo:paper_10502947_v49_n5_p3445_Caputo2023-10-03T15:58:57Z Theoretical study of the magnetic properties of a methane molecule in a nonuniform magnetic field Caputo, M.C. Ferraro, M.B. Lazzeretti, P. Malagoli, M. Zanasi, R. 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. JOUR info:eu-repo/semantics/openAccess http://creativecommons.org/licenses/by/2.5/ar 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. |
| format |
JOUR |
| author |
Caputo, M.C. Ferraro, M.B. Lazzeretti, P. Malagoli, M. Zanasi, R. |
| spellingShingle |
Caputo, M.C. Ferraro, M.B. Lazzeretti, P. Malagoli, M. Zanasi, R. Theoretical study of the magnetic properties of a methane molecule in a nonuniform magnetic field |
| author_facet |
Caputo, M.C. Ferraro, M.B. Lazzeretti, P. Malagoli, M. Zanasi, R. |
| author_sort |
Caputo, M.C. |
| title |
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 |
| url |
http://hdl.handle.net/20.500.12110/paper_10502947_v49_n5_p3445_Caputo |
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| _version_ |
1807321300789624832 |