critic: a new program for the topological analysis of solid-state electron densities

DOI10.1016/J.CPC.2008.07.018zbMath1198.81218OpenAlexW1981495252WikidataQ62043459 ScholiaQ62043459MaRDI QIDQ603421

M. A. Blanco, A. Otero-De-La-Roza, A. Martín Pendás, Víctor Luaña

Publication date: 6 November 2010

Published in: Computer Physics Communications (Search for Journal in Brave)

Full work available at URL: https://doi.org/10.1016/j.cpc.2008.07.018

zbMATH Keywords

electron density\texttt{critic}\texttt{WIEN2k}quantum theory of atoms in molecules (QTAIM)topological analysis

Mathematics Subject Classification ID

Statistical mechanics of crystals (82D25) Software, source code, etc. for problems pertaining to quantum theory (81-04) Molecular physics (81V55)

Related Items (1)

critic

Uses Software

• Geomview
• gnuplot
• WIEN2k
• Lua
• PovRay

Cites Work

• Electronic structure calculations of solids using the WIEN2k package for material sciences
• A method to integrate an atom in a molecule without explicit representation of the interatomic surface

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