Solution

ID: past-exam-of-the-chemistry-course-of-the-year-3-of-the-natural-sciences-course-of-the-university-of-cambridge/2022/paper-4/58/a/iii/solution

For a strong term, maxima lie where . At either possible set of such maxima, : doubling a phase of either or gives zero modulo . A strong term reinforces those positive maxima when . The direct-methods pair relationship is therefore
A negative strong second harmonic would oppose the maxima favored by the first and tend to create implausible negative or flattened density elsewhere. The relationship is a strong-reflection inference, not a sign identity for arbitrary weak coefficients.
Figure 1.
How the sign of a second harmonic changes reinforcement of an atomic maximum
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