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Ab initio calculations of the ground and excited states of the ZrN molecule including spin-orbit effects

Ayman Farhat1, Saleh N Abdul-Al2

  • 1Université de Lyon, F-69000 Lyon, France and LPMCN, CNRS, UMR 5586, Université Lyon 1, F-69622, Villeurbanne, France.

Journal of Computational Chemistry
|April 23, 2015
PubMed

Keywords:
ZrN moleculepotential energy curvesspectroscopic constantstheoretical spin-orbit calculations

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