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M + Ng Potential Energy Curves Including Spin-Orbit Coupling For M = K, Rb, Cs And Ng = He, Ne, Ar, Larry Aaron Blank, David E. Weeks, Gary S. Kedziora

Faculty Publications

X²Σ⁺_1/2 ⁠, A²Π_1/2, A²Π_3/2, and B²Σ⁺_1/2 potential energy curves and associated dipole matrix elements are computed for M + Ng at the spin-orbit multi-reference configuration interaction level, where M = K, Rb, Cs and Ng = He, Ne, Ar. Dissociation energies and equilibrium positions for all minima are identified and corresponding vibrational energy levels are computed. Difference potentials are used together with the quasistatic approximation to estimate the position of satellite peaks of collisionally broadened D2 lines. The comparison of potential energy curves for …