A sub-linear scaling algorithm for computing the electronic structure of materials

DOI10.4310/CMS.2007.v5.n4.a14zbMath1133.35429MaRDI QIDQ2477146

Carlos J. García-Cervera, E. Weinan, Jian-feng Lu

Publication date: 13 March 2008

Published in: Communications in Mathematical Sciences (Search for Journal in Brave)

Full work available at URL: https://projecteuclid.org/euclid.cms/1199377562

zbMATH Keywords

density functional theoryDFT-continuum approximationsub-linear scaling algorithms

Mathematics Subject Classification ID

Crystalline structure (74E15) Finite element methods applied to problems in solid mechanics (74S05) PDEs in connection with quantum mechanics (35Q40) Homogenization in equilibrium problems of solid mechanics (74Q05)

Related Items

Stochastic algorithms for self-consistent calculations of electronic structures, A homogenization analysis of the field theoretic approach to the quasi-continuum method, Non-periodic finite-element formulation of Kohn-Sham density functional theory, Localized bases of eigensubspaces and operator compression