Linear Scaling Discontinuous Galerkin Density Matrix Minimization Method with Local Orbital Enriched Finite Element Basis: 1-D Lattice Model System

DOI10.4208/CICP.290212.240812AzbMath1373.81010OpenAlexW2124266540MaRDI QIDQ5372131

Jianguo Xin, Tiao Lu, 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

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

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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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