Efficient self-consistency for magnetic tight binding

DOI10.1016/j.cpc.2011.01.030zbMath1266.82072OpenAlexW1965888615WikidataQ56486093 ScholiaQ56486093MaRDI QIDQ1943164

Preetma Soin, D. Nguyen-Manh, A. P. Horsfield

Publication date: 15 March 2013

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

Full work available at URL: https://doi.org/10.1016/j.cpc.2011.01.030

zbMATH Keywords

density functional theorymagnetismtight bindingcharge mixingcode \texttt{PLATO}

Mathematics Subject Classification ID

Closed and approximate solutions to the Schrödinger, Dirac, Klein-Gordon and other equations of quantum mechanics (81Q05) Statistical mechanics of metals (82D35) Statistical mechanics of magnetic materials (82D40) Software, source code, etc. for problems pertaining to statistical mechanics (82-04)

Uses Software

• Plato

Cites Work

• Unnamed Item
• Plato: A localised orbital based density functional theory code
• Forces in Molecules
• Electronic wave functions - I. A general method of calculation for the stationary states of any molecular system
• Collective electron ferromagnetism in metals and alloys

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