Quantum calculations have been performed on the structure and vibrational predissociation dynamics of Ne⋯Br2 van der Waals complexes in the ground and electronically excited states associated with the X1Σg+(Og+) and B3Πu(Ou+) terms of Br2 using simple empirical potential-energy surfaces. A reasonable approximation has been found for interactions in the ground state and the best potential for the excited state is chosen from three trial ones. Some results of classical dynamics calculations are also presented and discussed.
|Number of pages||8|
|Journal||Journal of the Chemical Society, Faraday Transactions|
|Publication status||Published - 1994|