Are ab initio quantum chemistry methods able to predict vibrational states up to the dissociation limit for multi-electron molecules close to spectroscopic accuracy?

Péter G. Szalay, Filip Holka, Julien Fremont, Michael Rey, Kirk A. Peterson, Vladimir G. Tyuterev
  • Physical Chemistry Chemical Physics, January 2011, Royal Society of Chemistry
  • DOI: 10.1039/c0cp01334j
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