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A density functional theory of the Fermi contact contribution to the nuclear spin-spin coupling constant
Published Web Location
https://doi.org/10.1016/0009-2614(95)00073-dAbstract
The authors' magnetic field density functional theory is extended to include electron spin-dependent interactions. Coupling the new theory with traditional spin density functional theory in the local limit yields a linear differential equation for the net spin density. The coefficients in the equation are functions of the electron density in the absence of a nuclear spin. © 1995.
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