Real-space grids and the Octopus code as tools for the development of new simulation approaches for electronic systems

Phys. Chem. Chem. Phys., 2015, 17,31371-31396
DOI: 10.1039/C5CP00351B, Paper

Open Access

&nbsp This article is licensed under a Creative Commons Attribution 3.0 Unported Licence.

Xavier Andrade, David Strubbe, Umberto De Giovannini, Ask Hjorth Larsen, Micael J. T. Oliveira, Joseba Alberdi-Rodriguez, Alejandro Varas, Iris Theophilou, Nicole Helbig, Matthieu J. Verstraete, Lorenzo Stella, Fernando Nogueira, Alan Aspuru-Guzik, Alberto Castro, Miguel A. L. Marques, Angel Rubio
We explore how strategies to simulate various phenomena of electronic systems have been implemented in the Octopus code, using the versatility and performance of real-space grids.
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