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

Andrade, Xavier; Strubbe, David; De Giovannini, Umberto; Hjorth Larsen, Ask; J. T. Oliveira, Micael; Alberdi-Rodriguez, Joseba; Varas, Alejandro; Theophilou, Iris; Helbig, Nicole; J. Verstraete, Matthieu; Stella, Lorenzo; Nogueira, Fernando; Aspuru-Guzik, Alán; Castro, Alberto; A. L. Marques, Miguel; Rubio, Angel

doi:10.1039/c5cp00351b

Public

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

Shared by NobleBlocks on Jan 1, 2015 • 12:00 AM UTC

Authors:

Xavier Andrade

David Strubbe

Umberto De Giovannini

Abstract

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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