Potential Energy Surface of SF6
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For the first time, a 15-dimensional analytical form was obtained and the potential energy of the SF6 molecule in the ground electronic state was found. An optimal grid of geometries was constructed, which, taking into account the full symmetry of the molecule, unambiguously determines the potential energy surface of the sixth order. Using the MP2 method with the cc-pVTZ base set, the potential energy surface of the fourth order was calculated.
Keywords:potential energy surface SF6 octahedral group
The work was supported by the Russian Science Foundation (grant no. 17-17-01170).
CONFLICT OF INTEREST
The authors declare that they have no conflicts of interest.
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