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SIESTA (computer program)

Known as: SIESTA, Siesta (disambiguation), Siesta Computer Program 
SIESTA (Spanish Initiative for Electronic Simulations with Thousands of Atoms) is an original method and a software implementation for performing… 
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Related topics

Related topics

7 relations
Atomistix ToolKitDensity functional theoryElectronic structureKohn–Sham equations

Papers overview

Semantic Scholar uses AI to extract papers important to this topic.
2016
2016
Magnetic properties of zigzag (0,9) GaAs nanotube doped with 3d transition metals
Abstract In this work, the electronic and magnetic properties of the pure and doped zigzag (0,9) GaAs nanotube with 11 percents… 
2013
2013
Ab Initio Study of the Electronic and Vibrational Properties of 1-nm-Diameter Single-Walled Nanotubes
The electronic structure, band gap, density of states of the (8,8), (14,0) and (12,3) single-walled carbon nanotubes by the… 
2010
2010
Application of the package SIESTA to linear models of a molecular chromium-based ring
We investigate for the first time the electronic and magnetic properties of the linear models of Cr(8)F(8)(Piv)(16) molecular… 
2008
2008
A real-time time-dependent density functional theory method for calculating linear and nonlinear dynamic optical response
A real-time time-dependent density functional theory method for calculating linear and nonlinear dynamic optical response… 
2007
2007
Ab-initio simulations of self-diffusion mechanisms in semiconductors
2006
2006
Theoretical investigation of free-standing CoPd nanoclusters as a function of cluster size and stoichiometry in the Pd-rich phase: Geometry, chemical order, magnetism, and metallic behavior
We report on a study of the geometrical structure, magnetic properties, and metallic behavior of freestanding CoPd nanoclusters… 
2001
2001
Ground-state geometry of small Ni-C clusters
The ground-state geometry of the ${\mathrm{NiC}}_{3}$ and ${\mathrm{NiC}}_{4}$ clusters is investigated using accurate ab initio… 
2001
2001
LCAO calculation of dynamical charges and ferroelectricity
In this paper we discuss some of the details of the calculation of the macroscopic polarization, via the Berry-phase approach… 
1999
1999
Practical inverse modeling with SIESTA
We present a simulation system which meets the requirements for a practical application of inverse modeling in a professional… 
1992
1992
SIESTA: a multi-facet scan design system
Scan design methodology has led to a range of design-for-testability techniques. However, scan techniques are not universally… 
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