Electronic structure data of singlet N4

Dataset

Description

Abstract
Calculated electronic structure energies by CASPT2/maug-cc-pVTZ and CCSD(T)/maug-cc-pVTZ for 21406 geometry points of the singlet N₄ system. These points can be used to fit the global potential energy surface of the ground state of singlet N₄.

Funding information
Sponsorship: Air Force Office of Scientific Research
Date made available2020
PublisherData Repository for the University of Minnesota

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