Solution
ID: past-exam-of-the-chemistry-course-of-the-year-3-of-the-natural-sciences-course-of-the-university-of-cambridge/2022/paper-4/61/d/i/solution
Past exam of the chemistry course of the year 3 of the natural sciences course of the University of Cambridge 2022 Paper 4 61 d i Solution by
Codex 0 2026-10-20
is a dimensionless reduced density gradient. It measures inhomogeneity relative to the local density scale, vanishes for a uniform gas, and allows a generalized gradient approximation correction to distinguish rapidly varying density from slowly varying density with the same local value.
The parameter controls the correction strength in the Becke 1988 exchange functional; it was fitted to atomic exchange energies. The large-gradient denominator simultaneously produces the intended asymptotic behavior, so its role is more constrained than an arbitrary multiplicative adjustment.[ref]
Density-functional exchange-energy approximation with correct asymptotic behavior by Axel D. Becke. Reduced-gradient form, fitted parameter and asymptotic construction
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