Spin polarization effects in paramagnetic molecules calculations on the NH2radical
- 1 June 1963
- journal article
- research article
- Published by Taylor & Francis in Molecular Physics
- Vol. 6 (5), 493-502
- https://doi.org/10.1080/00268976300100551
Abstract
The ‘ spin polarization ’ induced in one part of a molecule by the presence of unpaired spins in another part is investigated in a general way, using a density matrix formulation. The general theory is then applied in a non-empirical calculation of spin densities and hyperfine coupling constants in the NH2 radical.Keywords
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