Spectral density scalar functions

T.l.B Basic Physical Observables and Corresponding Scalars T. 1. C Physical Parameters Dealing With Spectroscopy T. 1. D Scalar Functions Dealing With the Spectral Density Operators, Kets, and Density Operators T.2.A Operators that Are Not Observable T.2.B Hermitean Hamiltonians... 

T.l.D. Scalar Functions Dealing With the Spectral Density... 

B and A are constants, tjs is the distance between the I and 5 spins and d is their distance of closest approach. The interaction is short range and so it follows that Xd >-1. Because this condition is assumed to be true, the factor (dirjs) has little effect on the functional dependence of BIS and is included only to facilitate the computation of the spectral density function for scalar coupling, 7. A plot of Je.cos... 

Je, 0 7, 0 being the spectral density functions for scalar and dipolar... 

When both dipolar and scalar interactions are present, p, the nuclear-electron coupling parameter, has to be calculated as a function of Because p depends also on the spectral density near the electron Larmor frequency, p can be plotted as a function of frequency for various values of In practice, it proves to be convenient to present p as a function of (cDsT,) where t,, the diffusional correlation time, is given by—... 

In order to obtain these plots for p, it is necessary to calculate the spectral-density functions for both the scalar and dipolar interactions, i.e.—... 

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