Ab initio calculation of atomic contributions to the magnetic susceptibility by continuous transformation of the origin of the current density in HF, H2O, NH3, and CH4 molecules
The conventional random phase approximation (RPA) of the polarization propagator theory and a computational method based on continuous transformation of origin for the current density (CTOCD) induced within the electron cloud by an external homogeneous, static magnetic field has been employed to cal...
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| Autores principales: | Ferraro, M.B., Caputo, M.C. |
|---|---|
| Formato: | Artículo publishedVersion |
| Publicado: |
1999
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| Acceso en línea: | http://hdl.handle.net/20.500.12110/paper_00219606_v110_n22_p10706_Ferraro https://repositoriouba.sisbi.uba.ar/gsdl/cgi-bin/library.cgi?a=d&c=artiaex&d=paper_00219606_v110_n22_p10706_Ferraro_oai |
| Aporte de: |
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