Linear scaling discontinuous Galerkin density matrix minimization method with local orbital enriched finite element basis: 1-D lattice model system

DOI10.4208/CICP.290212.240812AMaRDI QIDQ5372131zbMATH OpenOpenAlexFDO

Authors Tiao Lu, Jianguo Xin, Yinglong Guo, Wei Cai

Publication date 27 October 2017

Published in Communications in Computational Physics (Search for Journal in Brave)

Full work available at URL https://semanticscholar.org/paper/5a653e1859f7f9bf558d4e0248b82947456aac79

Mathematics Subject Classification ID

Finite element, Rayleigh-Ritz and Galerkin methods for boundary value problems involving PDEs (65N30) Computational methods for problems pertaining to quantum theory (81-08) Closed and approximate solutions to the Schrödinger, Dirac, Klein-Gordon and other equations of quantum mechanics (81Q05)

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Cited in

(2)

• Adaptive local basis set for Kohn-Sham density functional theory in a discontinuous Galerkin framework. II: force, vibration, and molecular dynamics calculations
• Numerical methods for Kohn–Sham density functional theory

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