Ab initio calculations of magnetic susceptibilities on HF, H2O, CH4 and NH3 compounds employing the Geertsen's gauge independent method
Geertsen (J. Geertsen, J. Chem. Phys., 90 (1989) 4892; Chem. Phys. Lett., 179 (1991) 479; 188 (1992) 326) proposed a polarization propagator based theory for calculation of the diamagnetic contribution to the magnetic susceptibility. The translational gauge invariance of the magnetic properties is u...
Guardado en:
| Autores principales: | Ferraro, M.B., Caputo, M.C. |
|---|---|
| Formato: | JOUR |
| Acceso en línea: | http://hdl.handle.net/20.500.12110/paper_01661280_v335_n1-3_p69_Ferraro |
| Aporte de: |
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