Ab initio pseudopotentials for electronic structure calculations of poly-atomic systems using density-functional theory
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Publication:1613813
DOI10.1016/S0010-4655(98)00201-XzbMath0998.81551arXivcond-mat/9807418MaRDI QIDQ1613813
Publication date: 2 September 2002
Published in: Computer Physics Communications (Search for Journal in Brave)
Full work available at URL: https://arxiv.org/abs/cond-mat/9807418
total energyelectronic structuregeneralized gradientdensity functionallocal densitylocal-density approximationpseudopotentialgeneralized gradient approximation
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