3. Patterson function
3.1 Mathematical expression
To understand the process, let's explain its principle in the one-dimensional case. Let's imagine a one-dimensional mesh containing two atoms with abscissas x = α and x = β and atomic diffusion factors f 1 and f 2 . Consider two points with abscissas x and x + u and carry out the product of the electron density ρ at each of these points: ρ (x) · ρ (x + u)
Then let's calculate the average of this expression over the mesh of parameter a by varying x expressed in arbitrary units:
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Patterson function
Direct methods
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