Conical intersection between the lowest spin-aligned Li₃(⁴A) potential-energy surfaces

          We have calculated new potential-energy surfaces for the lowest two spin-aligned ⁴A states of the Li₃ trimer. This calculation shows a seam of conical intersections between these states resulting from the extra symmetry of the system when the atoms are in a collinear arrangement. This seam is especially important because of its proximity to the three-body dissociation limit of the system; ultracold scattering calculations and the bound-state energies of the system will be affected by the presence of this conical intersection. In this paper we discuss the calculation of the potential-energy surface and the location of the conical intersection seam


link: J. Chem. Phys. 123, 091101 (2005)

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