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

@article{Koner2020N3F, 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}, year={2020}, volume={153 4}, pages={ 044302 } }

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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