Implementational Details To The Calculation Of Nuclear Spin-Rotation Constants

Calculation of {$\cal M$} proceeds as the corresponding shielding calculation and in addition only requires computation of the nuclear contribution (routine srtnuc in vdint) and the evaluation of the required diamagnetic contribution to {$\sigma_n$} (routines giint3a and srtavr in vdint).

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Page last modified on January 15, 2009, at 08:24 PM

CFOUR is partially supported by the U.S. National Science Foundation.