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Hu, Guanghui; Xie, Hehu; Xu, Fei On accelerating a multilevel correction adaptive finite element method for Kohn-Sham equation. (English) Zbl 07620359 J. Comput. Phys. 472, Article ID 111674, 22 p. (2023). MSC: 65Nxx 35Qxx 81-XX PDFBibTeX XMLCite \textit{G. Hu} et al., J. Comput. Phys. 472, Article ID 111674, 22 p. (2023; Zbl 07620359) Full Text: DOI arXiv
Temizer, Ilker Higher-order finite element methods for Kohn-Sham density functional theory. (English) Zbl 1515.81235 Aldakheel, Fadi (ed.) et al., Current trends and open problems in computational mechanics. Cham: Springer. 527-535 (2022). MSC: 81V55 81V10 65N30 82M36 39A12 41A15 78A35 PDFBibTeX XMLCite \textit{I. Temizer}, in: Current trends and open problems in computational mechanics. Cham: Springer. 527--535 (2022; Zbl 1515.81235) Full Text: DOI
Ghosh, Swarnava; Suryanarayana, Phanish SPARC: accurate and efficient finite-difference formulation and parallel implementation of density functional theory: extended systems. (English) Zbl 1411.81029 Comput. Phys. Commun. 216, 109-125 (2017). MSC: 81-08 81V70 78A30 PDFBibTeX XMLCite \textit{S. Ghosh} and \textit{P. Suryanarayana}, Comput. Phys. Commun. 216, 109--125 (2017; Zbl 1411.81029) Full Text: DOI arXiv
Ghosh, Swarnava; Suryanarayana, Phanish SPARC: accurate and efficient finite-difference formulation and parallel implementation of density functional theory: isolated clusters. (English) Zbl 1376.78001 Comput. Phys. Commun. 212, 189-204 (2017). MSC: 78A30 81V70 65Y05 PDFBibTeX XMLCite \textit{S. Ghosh} and \textit{P. Suryanarayana}, Comput. Phys. Commun. 212, 189--204 (2017; Zbl 1376.78001) Full Text: DOI arXiv
Pourmatin, Hossein; Dayal, Kaushik Multiscale real-space quantum-mechanical tight-binding calculations of electronic structure in crystals with defects using perfectly matched layers. (English) Zbl 1415.81116 J. Comput. Phys. 323, 115-125 (2016). MSC: 81V10 82D25 65Z05 PDFBibTeX XMLCite \textit{H. Pourmatin} and \textit{K. Dayal}, J. Comput. Phys. 323, 115--125 (2016; Zbl 1415.81116) Full Text: DOI
Maday, Yvon \({h-P}\) finite element approximation for full-potential electronic structure calculations. (English) Zbl 1302.65255 Chin. Ann. Math., Ser. B 35, No. 1, 1-24 (2014). MSC: 65N30 65N25 65T99 35P30 35Q40 81Q05 PDFBibTeX XMLCite \textit{Y. Maday}, Chin. Ann. Math., Ser. B 35, No. 1, 1--24 (2014; Zbl 1302.65255) Full Text: DOI