Self-consistent finite-difference electronic structure calculations

DOI10.1016/S0010-4655(00)00255-1zbMath0979.65094OpenAlexW2046766997MaRDI QIDQ5938238

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Publication date: 18 July 2001

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

Full work available at URL: https://doi.org/10.1016/s0010-4655(00)00255-1

zbMATH Keywords

multigrid methodfinite difference methodselectronic structure of materialstime-independent Schrödinger equation

Mathematics Subject Classification ID

Multigrid methods; domain decomposition for boundary value problems involving PDEs (65N55) NLS equations (nonlinear Schrödinger equations) (35Q55) Finite difference methods for boundary value problems involving PDEs (65N06)

Related Items (1)

Ab initio calculation of the deformation potential and photoelastic coefficients of silicon with a non-uniform finite-difference solver based on the local density approximation

Uses Software

• Wesseling

Cites Work

• Algebraic Multigrid Domain and Range Decomposition (AMG-DD/AMG-RD)
• A combined unifrontal/multifrontal method for unsymmetric sparse matrices
• A review of algebraic multigrid
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