articleTheoretical Chemistry AccountsMay 25, 2005BRONZE OA

Pseudopotentials for H to Kr optimized for gradient-corrected exchange-correlation functionals

MKMatthias Krack

ETH Zurich

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Keywords
  • Pseudopotential
  • Gaussian
  • Physics
  • Chemistry
  • Space (punctuation)
  • Norm (philosophy)
  • Computational chemistry
  • Quantum mechanics
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