articleVibrational SpectroscopyJul 1, 2002Closed access

Scaling of ab initio force fields by MOLVIB

TSTom Sundius

University of Helsinki

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Abstract

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837
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Topics & keywords

Topics
Keywords
  • Anharmonicity
  • Ab initio
  • Force field (fiction)
  • Scaling
  • Basis set
  • Electronic correlation
  • Ab initio quantum chemistry methods
  • Field (mathematics)
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