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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| Acceso en línea: | http://hdl.handle.net/20.500.12110/paper_01661280_v390_n1-3_p47_Caputo |
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todo:paper_01661280_v390_n1-3_p47_Caputo2023-10-03T15:03:23Z Theoretical study of the magnetic properties of an SF6 molecule in non-uniform magnetic field Caputo, M.C. Ferraro, M.B. 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. JOUR info:eu-repo/semantics/openAccess http://creativecommons.org/licenses/by/2.5/ar 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 Caputo, M.C. Ferraro, M.B. 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. |
| format |
JOUR |
| author |
Caputo, M.C. Ferraro, M.B. |
| author_facet |
Caputo, M.C. Ferraro, M.B. |
| author_sort |
Caputo, M.C. |
| 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 |
| url |
http://hdl.handle.net/20.500.12110/paper_01661280_v390_n1-3_p47_Caputo |
| work_keys_str_mv |
AT caputomc theoreticalstudyofthemagneticpropertiesofansf6moleculeinnonuniformmagneticfield AT ferraromb theoreticalstudyofthemagneticpropertiesofansf6moleculeinnonuniformmagneticfield |
| _version_ |
1807323822796308480 |