Magnetic Properties of Polyatomic Molecules. I. Magnetic Susceptibility of H2O, NH3, CH4, H2O2

@inproceedings{Arrighini1968MagneticPO,
  title={Magnetic Properties of Polyatomic Molecules. I. Magnetic Susceptibility of H2O, NH3, CH4, H2O2},
  author={G. P. Arrighini and Marco Maestro and Roberto Moccia},
  year={1968}
}
The magnetic susceptibility of H2O, NH3, CH4, and H2O2 molecules has been evaluated by the perturbed HF scheme. Several wavefunctions, all of LCAO SCF MO type, have been considered. By using a double perturbation technique we derive some useful quantities which allow one to evaluate diamagnetic and paramagnetic contributions to the susceptibility for any gauge. The results corresponding to the largest basis sets are in satisfactory agreement with experimental data. The dependence of the… CONTINUE READING

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Magnetic properties of materials for MR engineering, micro-MR and beyond.

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  • 2014
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