Browsing by Author "Truhlar Group, Department of Chemistry. UMN"

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    Electronic structure data of singlet N₄
    (2020-04-24) Varga, Zoltan; Paukku, Yuliya; Truhlar, Donald G; truhlar@umn.edu; Truhlar, Donald G; Truhlar Group, Department of Chemistry. UMN
    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.