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Figure 19
Summing up harmonic waves of higher order can help to model the path of the electron density more accurately with the AMF. In the depicted example the (hypothetical) electron density (grey) is better fit with a superposition (D) of the three waves A, B and C. Using only the harmonic wave of first order (A) does not allow the description of the anharmonic details.

Journal logoSTRUCTURAL SCIENCE
CRYSTAL ENGINEERING
MATERIALS
ISSN: 2052-5206
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