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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| Autores principales: | , |
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| Formato: | JOUR |
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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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| Sumario: | 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. |
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