Ke R Yang

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We present an improved version of the anchor points reactive potential (APRP) method for potential energy surfaces; the improvement for the surfaces themselves consists of using a set of internal coordinates with better global behavior, and we also extend the method to fit the surface couplings. We use the new method to produce a 3 Â 3 matrix of diabatic(More)
We present a global ground-state potential energy surface for N4 suitable for treating high-energy vibrational-rotational energy transfer and collision-induced dissociation in N2-N2 collisions. To obtain the surface, complete active space second-order perturbation theory calculations were performed for the ground singlet state with an active space of 12(More)
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