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Title: Octopus

Abstract

Octopus is a scientific program aimed at the ab initio virtual experimentation on a hopefully ever-increasing range of system types. Electrons are described quantum-mechanically within density-functional theory (DFT), in its time-dependent form (TDDFT) when doing simulations in time. Nuclei are described classically as point particles. Electron-nucleus interaction is described within the pseudopotential approximation.

Authors:
 [1]
  1. and previous work by Joseba Alberdi, Xavier Andrade, Alberto Castro, Tilman Dannert, Umberto De Giovannini, Alain Delgado Gran, Nicole Helbig, Hannes Huebener, Rene Jestaedt, Joaquim Jornet-Somoza, Irina Lebedeva, Miguel A.L. Marques, Fernando Nogueira, Micael Oliveira, Carlo Andrea Rozzi, Angel Rubio, Ravindra Shinde, Iris Theophilou, Alejandro Varas, Matthieu Verstraete, Philipp Wopperer, Florian Lorenzen, Heiko Appel, Arto Sakko, Danilo Nitsche
Publication Date:
Research Org.:
Massachusetts Institute of Technology
Sponsoring Org.:
USDOE
OSTI Identifier:
1232142
Report Number(s):
OCTOPUS; 003437MLTPL00
DOE Contract Number:  
AR0000180
Resource Type:
Software
Software Revision:
00
Software Package Number:
003437
Software Package Contents:
Open Source Software package available from Massachusetts Institute of Technology at the following URL; http://www.tddft.org/programs/octopus/wiki/index.php/Main_Page
Software CPU:
MLTPL
Open Source:
Yes
Source Code Available:
Yes
Country of Publication:
United States

Citation Formats

Strubbe, David. Octopus. Computer software. https://www.osti.gov//servlets/purl/1232142. Vers. 00. USDOE. 26 May. 2015. Web.
Strubbe, David. (2015, May 26). Octopus (Version 00) [Computer software]. https://www.osti.gov//servlets/purl/1232142.
Strubbe, David. Octopus. Computer software. Version 00. May 26, 2015. https://www.osti.gov//servlets/purl/1232142.
@misc{osti_1232142,
title = {Octopus, Version 00},
author = {Strubbe, David},
abstractNote = {Octopus is a scientific program aimed at the ab initio virtual experimentation on a hopefully ever-increasing range of system types. Electrons are described quantum-mechanically within density-functional theory (DFT), in its time-dependent form (TDDFT) when doing simulations in time. Nuclei are described classically as point particles. Electron-nucleus interaction is described within the pseudopotential approximation.},
url = {https://www.osti.gov//servlets/purl/1232142},
doi = {},
year = {2015},
month = {5},
note =
}