Correlation functions for simple hopping in a simple cubic lattice

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Abstract
We calculate the correlation functions for a single specific particle and for a pair of specific particles in an ensemble of particles making nearest-neighbor simple jumps in a simple cubic lattice. These correlation functions can be used to obtain tracer correlation factors and NMR relaxation times due to motionally altered I−S (unlike spin) or I−I (like spin) dipolar interactions. In particular we calculate T1 due to the I−I dipolar interaction for various concentrations of particles as may be appropriate for some metal hydrides at different concentrations. Our results show that the T1 calculated using the random-walk model is in error by more than 15% at low concentrations and by almost 100% at high concentrations.

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