Relativistic theory of indirect nuclear spin-spin coupling

Hubert Ebert (1)

1 Chemistry and Biochemistry

A fully relativistic theory of indirect nuclear spin-spin coupling is presented that is based on the Green's function formalism. Implementation by the use of multiple scattering or Korringa-Kohn-Rostoker (KKR) method leads to a very flexible and numerically efficient approach. Results obtained for fcc-Cu are found in full accordance with previous non- or scalar-relativistic calculations and show essentially a behaviour expected from Ruderman-Kittel theory for free-electron like systems. Results for Ag and Au are represented in addition to demonstrate the impact of relativistic effects.

Mots clés: Physical Sciences

Hubert Ebert. Relativistic theory of indirect nuclear spin-spin coupling. Philosophical Magazine, 2008, 88 (18-20), pp.2673-2681. ⟨10.1080/14786430802375659⟩. ⟨hal-00513949⟩