Improvements on non-equilibrium and transport Green function techniques: the next-generation Transiesta

DOI10.1016/j.cpc.2016.09.022zbMath1380.65483arXiv1607.04464WikidataQ57494986 ScholiaQ57494986MaRDI QIDQ1687073

Peng Zhang

Publication date: 19 December 2017

Published in: Computer Physics Communications (Search for Journal in Brave)

Full work available at URL: https://arxiv.org/abs/1607.04464

zbMATH Keywords

transport; Green function; density functional theory; non equilibrium

Mathematics Subject Classification ID

65F50: Computational methods for sparse matrices

81V70: Many-body theory; quantum Hall effect

65Z05: Applications to the sciences

65Y15: Packaged methods for numerical algorithms

Uses Software

• LAPACK
• Atomistix ToolKit
• GitHub
• Pselinv