An approximate relation for paramagnetic magnetizability emerging from the sum rules for Cartesian magnetic dipole moment derivatives
✍ Scribed by P.L. Polavarapu
- Publisher
- Elsevier Science
- Year
- 1990
- Tongue
- English
- Weight
- 468 KB
- Volume
- 171
- Category
- Article
- ISSN
- 0009-2614
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✦ Synopsis
The magnetic dipole moment derivatives with respect to nuclear velocities obey certain translational and rotational sum rules.
When the rotational sum rule derived for the abovementioned derivatives obtained from the magnetic iield perturbation ap proach is combined with that derived for the same derivatives obtained from the locsliied molecular orbital method, it is found that the paramagnetic magnetizability&, can be approximated as ( /4&) &[ ( re)zS,p -r&r&] where e is the unit of electron charge, m, is electron mass and re is the ccntroid of the locali.xed molecular orbital occupied by the kth electron. This approximate relation is found to satisfactorily reproduce the experimental & values for ox&me.