Variational projector augmented-wave method

DOI10.1016/j.crma.2017.05.004zbMath1372.35322OpenAlexW2769194682MaRDI QIDQ2363529

Eric Cancès, Mi-Song Dupuy, Xavier Blanc

Publication date: 19 July 2017

Published in: Comptes Rendus. Mathématique. Académie des Sciences, Paris (Search for Journal in Brave)

Full work available at URL: https://doi.org/10.1016/j.crma.2017.05.004

zbMATH Keywords

plane wave expansionKohn-Sham electronic structuresmooth eigenvector

Mathematics Subject Classification ID

Asymptotic behavior of solutions to PDEs (35B40) PDEs with low regular coefficients and/or low regular data (35R05) Asymptotic expansions of solutions to PDEs (35C20) Atomic physics (81V45)

Related Items

Variational projector-augmented wave method: a full-potential approach for electronic structure calculations in solid-state physics ⋮ Projector augmented-wave method: an analysis in a one-dimensional setting ⋮ A discontinuous Galerkin scheme for full-potential electronic structure calculations ⋮ Variational projector augmented-wave method: theoretical analysis and preliminary numerical results ⋮ An Adaptive Planewave Method for Electronic Structure Calculations

Uses Software

• ABINIT

Cites Work

• Sharp regularity results for Coulombic many-electron wave functions
• On the eigenfunctions of many-particle systems in quantum mechanics
• Analysis of periodic Schrödinger operators: Regularity and approximation of eigenfunctions

This page was built for publication: Variational projector augmented-wave method