articleJournal of Molecular Structure THEOCHEMFeb 4, 2004Closed access

Segmented contraction scheme for small-core actinide pseudopotential basis sets

XCXiaoyan CaoMDMichael Dolg

University of Cologne · Sun Yat-sen University

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Abstract

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788
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FWCI
1.73
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100%
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42
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Authors

2

Topics & keywords

Topics
Keywords
  • Pseudopotential
  • Actinide
  • Gaussian
  • Valence (chemistry)
  • Density functional theory
  • Physics
  • Atomic physics
  • Chemistry
UN Sustainable Development Goals
  • Affordable and clean energy
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