Density functional theory across chemistry, physics and biology

DOI10.1098/RSTA.2012.0488zbMath1353.92114OpenAlexW2146266654WikidataQ42472198 ScholiaQ42472198MaRDI QIDQ2955617

Michael Buhl, Tanja van Mourik, Marie-Pierre Gaigeot

Publication date: 13 January 2017

Published in: Philosophical Transactions of the Royal Society A: Mathematical, Physical and Engineering Sciences (Search for Journal in Brave)

Full work available at URL: https://doi.org/10.1098/rsta.2012.0488

Mathematics Subject Classification ID

Classical flows, reactions, etc. in chemistry (92E20) Atomic physics (81V45)

Related Items (1)

\textsf{PWDFT.jl}: a Julia package for electronic structure calculation using density functional theory and plane wave basis

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