Dias, Alexandre C.; Silveira, Julian F. R. V.; Qu, Fanyao WanTiBEXOS: a Wannier based tight binding code for electronic band structure, excitonic and optoelectronic properties of solids. (English) Zbl 1512.78028 Comput. Phys. Commun. 285, Article ID 108636, 16 p. (2023). MSC: 78A60 65Y05 81Q40 82M36 82D37 82D80 81V45 81-04 37K60 35Q55 35Q40 PDFBibTeX XMLCite \textit{A. C. Dias} et al., Comput. Phys. Commun. 285, Article ID 108636, 16 p. (2023; Zbl 1512.78028) Full Text: DOI
Samanta, Sudipta; Raghunathan, Devanathan; Mukherjee, Sanchita; Sanyal, Biplab Dependence of HOMO-LUMO gap of DNA base pair steps on twist angle: a density functional approach. (English) Zbl 1410.81035 J. Biol. Syst. 26, No. 1, 23-40 (2018). MSC: 81V55 46N50 81R25 92D20 PDFBibTeX XMLCite \textit{S. Samanta} et al., J. Biol. Syst. 26, No. 1, 23--40 (2018; Zbl 1410.81035) Full Text: DOI
Maintz, Stefan; Eck, Bernhard; Dronskowski, Richard Speeding up plane-wave electronic-structure calculations using graphics-processing units. (English) Zbl 1259.82005 Comput. Phys. Commun. 182, No. 7, 1421-1427 (2011). MSC: 82-04 65Y10 82D20 82-08 65T50 65Y20 PDFBibTeX XMLCite \textit{S. Maintz} et al., Comput. Phys. Commun. 182, No. 7, 1421--1427 (2011; Zbl 1259.82005) Full Text: DOI