A density matrix approach to the convergence of the self-consistent field iteration (Q2061329)

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English	A density matrix approach to the convergence of the self-consistent field iteration	scientific article

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scholarly article

A density matrix approach to the convergence of the self-consistent field iteration (English)

zbMATH Open document ID

10.3934/naco.2020018

Parikshit Upadhyaya

Elias Jarlebring

Emanuel H. Rubensson

Numerical Algebra, Control and Optimization

publication date

13 December 2021

full work available at URL

https://arxiv.org/abs/1809.02183

Mathematics Subject Classification ID

zbMATH DE Number

zbMATH Keywords

self-consistent field iteration

convergence analysis

nonlinear eigenvalue problems

eigenvector nonlinearity

electronic structure calculations

iterative methods

describes a project that uses

MaRDI profile type

MaRDI publication profile

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On the Analysis of the Discretized Kohn--Sham Density Functional Theory

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