N3 +: Full-dimensional ground state potential energy surface, vibrational energy levels, and dynamics.

  title={N3 +: Full-dimensional ground state potential energy surface, vibrational energy levels, and dynamics.},
  author={Debasish Koner and Max Schwilk and Sarbani Patra and Evan J. Bieske and Markus Meuwly},
  journal={The Journal of chemical physics},
  volume={153 4},
The fundamental vibrational frequencies and higher vibrationally excited states for the N3 + ion in its electronic ground state have been determined from quantum bound state calculations on three-dimensional potential energy surfaces (PESs) computed at the coupled-cluster singles and doubles with perturbative triples [CCSD(T)]-F12b/aug-cc-pVTZ-f12 and multireference configuration interaction singles and doubles with quadruples (MRCISD+Q)/aug-cc-pVTZ levels of theory. The vibrational fundamental… 
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