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Description
  • Describes the open source finite element package SfePy (Simple Finite Elements in Python, http://sfepy.org) and its application to ab-initio calculations of electronic states within the density-functional theory (DFT) framework.
  • Describes the open source finite element package SfePy (Simple Finite Elements in Python, http://sfepy.org) and its application to ab-initio calculations of electronic states within the density-functional theory (DFT) framework. (en)
Title
  • Finite element code in Python as a universal and modular tool applied to Kohn-Sham equations
  • Finite element code in Python as a universal and modular tool applied to Kohn-Sham equations (en)
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  • Finite element code in Python as a universal and modular tool applied to Kohn-Sham equations
  • Finite element code in Python as a universal and modular tool applied to Kohn-Sham equations (en)
skos:notation
  • RIV/68378271:_____/12:00397015!RIV14-GA0-68378271
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  • I, P(GA101/09/1630), P(GAP108/11/0853)
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  • 136614
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  • RIV/68378271:_____/12:00397015
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  • electronic structure; density-functional theory; pseudopotentials; molecules; clusters; finite-element method (en)
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  • [E398C6424644]
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  • Vienna
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  • Vienna
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  • ECCOMAS 2012 - European Congress on Computational Methods in Applied Sciences and Engineering
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  • Novák, M.
  • Cimrman, R.
  • Tůma, Miroslav
  • Rohan, E.
  • Vackář, Jiří
  • Čertík, O.
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number of pages
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  • Vienna University of Technology
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  • 9783950353709
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