Journal of Physical Chemistry, Vol.99, No.9, 2724-2726, 1995
2-Dipole Magnetic-Field Density-Functional Theory
We show that, by constructing a magnetic-field density functional theory for the response of many-electron systems to the magnetic field generated by two magnetic dipoles, one can calculate the orbital portion of the indirect spin-spin coupling, nuclear magnetic shielding tenser, and diamagnetic susceptibility of any such system.
Keywords:NMR SHIELDING CONSTANTS;TENSOR