Finite element calculations for systems with multiple Coulomb centers

DOI10.1016/J.CAM.2012.02.005zbMath1252.82065OpenAlexW2061444241MaRDI QIDQ448453

Moritz Braun

Publication date: 6 September 2012

Published in: Journal of Computational and Applied Mathematics (Search for Journal in Brave)

Full work available at URL: https://doi.org/10.1016/j.cam.2012.02.005

zbMATH Keywords

effective Schrödinger equationmethod of finite elements\texttt{Fortran}\texttt{Python}Coulomb centercusp condition

Mathematics Subject Classification ID

Interacting particle systems in time-dependent statistical mechanics (82C22) Finite element, Rayleigh-Ritz and Galerkin methods for boundary value problems involving PDEs (65N30) NLS equations (nonlinear Schrödinger equations) (35Q55)

Related Items (1)

Multi-domain muffin tin finite element density functional calculations for small molecules

Uses Software

• WIEN2k
• Python

Cites Work

• Arbitrary-level hanging nodes and automatic adaptivity in the \(hp\)-FEM
• On the eigenfunctions of many-particle systems in quantum mechanics
• Classical and enriched finite element formulations for Bloch-periodic boundary conditions
• Unnamed Item

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