Correlated response calculations of the
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Vaara, Juha; Ruud, Kenneth; Vahtras, Olav
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Article
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1999
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John Wiley and Sons
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English
⚖ 241 KB
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We present ab initio perturbation calculations of the electronic spin᎐orbit interaction contributions to indirect spin᎐spin coupling tensors using linear and quadratic response methods. The effects of both the Fermi-contact and the spin᎐dipole interactions as well as the one-and two-electron spin᎐or