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Hall-Ross

.. index:: Hall-Ross

Description

Models the Q dependence of the QENS line width (Gamma (hwhm)), diffusion coefficients (D), residence times (tau) and jump lengths (l) to extract the associated long range diffusive motions of molecules.

The Hall-Ross Jump diffusion model [1] has the form:

Gamma(Q) = \frac{\hbar}{\tau} \cdot (1-exp(-\frac{l^2 Q^2}{2}))

Units of l are inverse units of Q.

Units of Gamma are meV if units of \tau are ps. Alternatively, units of Gamma are \mu eV if units of \tau are ns.

Mean square diffusion jump length = 3 l^2 \ \AA^2.

Diffusion coefficient D = \frac{l^2}{2 \tau} \ \AA^2 ps^{-1}.

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References

[1]
    1. Hall and D. K. Ross, Mol. Phys. 42, 673 (1981) <http://dx.doi.org/10.1080/00268978100100521>
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