Full-potential electronic structure method. Energy and force calculations with density functional and dynamical mean field theory

DOI10.1007/978-3-642-15144-6zbMath1217.74003OpenAlexW1623179375MaRDI QIDQ992768

J. Martínez

Publication date: 10 September 2010

Published in: Springer Series in Solid-State Sciences (Search for Journal in Brave)

Full work available at URL: https://doi.org/10.1007/978-3-642-15144-6

zbMATH Keywords

semiconductorsmagnetismchemical bindinglinear muffin-tin orbital methodrelativistic spin-polarized test

Mathematics Subject Classification ID

Research exposition (monographs, survey articles) pertaining to mechanics of deformable solids (74-02) Statistical mechanics of solids (82D20) Statistical mechanics of metals (82D35) Molecular, statistical, and kinetic theories in solid mechanics (74A25)

Related Items (3)

ComDMFT: a massively parallel computer package for the electronic structure of correlated-electron systems ⋮ Transparent boundary conditions for higher-order finite-difference schemes of the Schrödinger equation in (1+1)D ⋮ RSPt

Uses Software

• LSMS

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