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 (4)A(') states of the Li(3) 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.
Brue
Daniel A
DA
Department of Physics and Astronomy, University of Oklahoma, Norman, Oklahoma 73019, USA. brue@nhn.ou.edu
Li
Xuan
X
Parker
Gregory A
GA