Average minimum distances of periodic point sets – foundational invariants for mapping periodic crystals

DOI10.46793/MATCH.87-3.529WMaRDI QIDQ5091504zbMATH OpenOpenAlexFDO

Authors Daniel Widdowson, M. Mosca, A. Pulido, Andrew I. Cooper, Vitaliy Kurlin

Publication date 26 July 2022

Published in MATCH Communications in Mathematical and in Computer Chemistry (Search for Journal in Brave)

Full work available at URL https://doi.org/10.46793/match.87-3.529w

Mathematics Subject Classification ID

Molecular structure (graph-theoretic methods, methods of differential topology, etc.) (92E10)

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(8)

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• Polynomial-Time Algorithms for Continuous Metrics on Atomic Clouds of Unordered Points
• Generic families of finite metric spaces with identical or trivial 1-dimensional persistence
• The minimum distance parametrization of crystal lattices
• Entropic Trust Region for Densest Crystallographic Symmetry Group Packings
• Density functions of periodic sequences of continuous events
• A formula for the linking number in terms of isometry invariants of straight line segments
• Density functions of periodic sequences

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