forthcoming articles

The following articles are a selection of those recently accepted for publication in Acta Crystallographica Section A: Foundations and Advances.

See also Forthcoming articles in all IUCr journals.

Accepted 19 February 2024

N-representable one-electron reduced density matrix reconstruction with frozen core electrons

An improved method of one-electron reduced density matrix reconstruction from structure factors and directional Compton profiles is tested on a urea crystal. Novel restrictions accounting for molecular symmetry and freezing of core electrons are introduced.


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