Real-space grids and the Octopus code as tools for the development of new simulation approaches for electronic systems
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چکیده
منابع مشابه
Real-space grids and the Octopus code as tools for the development of new simulation approaches for electronic systems.
Real-space grids are a powerful alternative for the simulation of electronic systems. One of the main advantages of the approach is the flexibility and simplicity of working directly in real space where the different fields are discretized on a grid, combined with competitive numerical performance and great potential for parallelization. These properties constitute a great advantage at the time...
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ژورنال
عنوان ژورنال: Physical Chemistry Chemical Physics
سال: 2015
ISSN: 1463-9076,1463-9084
DOI: 10.1039/c5cp00351b