Electron-density critical points analysis and catastrophe theory to forecast structure instability in periodic solids

DOI10.1107/S2053273317018381zbMath1444.82026OpenAlexW2791153813WikidataQ87919115 ScholiaQ87919115MaRDI QIDQ5127392

Alessandro Pavese, Marcello Merli

Publication date: 22 October 2020

Published in: Acta Crystallographica Section A Foundations and Advances (Search for Journal in Brave)

Full work available at URL: https://doi.org/10.1107/s2053273317018381

zbMATH Keywords

ab initio calculationscatastrophe theoryelectron-density critical pointsphase/state transitions in crystals

Mathematics Subject Classification ID

Statistical mechanics of crystals (82D25)

Related Items (1)

Electron-density critical points analysis and catastrophe theory to forecast structure instability in periodic solids

Cites Work

• Electron-density critical points analysis and catastrophe theory to forecast structure instability in periodic solids
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