Abstract

The analytical potential energy function for the ground state of HCl + 2 ( X 1 A′) is derived by a many-body expansion method using its equilibrium geometry, dissociation energy, harmonic frequencies and force constants calculated with the CISD 6–31++ G ( d, p) method. The topographical feature of the potential energy function represents the characteristics of the equilibrium geometry with an HCl +···Cl saddle, the energy of which is 1 eV compared with the channel HCl + + Cl.

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