Zhang, Gaigong; Lin, Lin; Hu, Wei; Yang, Chao; Pask, John E. Adaptive local basis set for Kohn-Sham density functional theory in a discontinuous Galerkin framework. II: force, vibration, and molecular dynamics calculations. (English) Zbl 1375.82015 J. Comput. Phys. 335, 426-443 (2017). MSC: 82B10 82-08 65F15 PDFBibTeX XMLCite \textit{G. Zhang} et al., J. Comput. Phys. 335, 426--443 (2017; Zbl 1375.82015) Full Text: DOI arXiv
Bock, Nicolas; Challacombe, Matt; Kalé, Laxmikant V. Solvers for \(\mathcal{O}(N)\) electronic structure in the strong scaling limit. (English) Zbl 1336.65054 SIAM J. Sci. Comput. 38, No. 1, C1-C21 (2016). MSC: 65F15 65F30 65F35 65F50 65Y05 81V45 81V55 PDFBibTeX XMLCite \textit{N. Bock} et al., SIAM J. Sci. Comput. 38, No. 1, C1--C21 (2016; Zbl 1336.65054) Full Text: DOI arXiv