Solvent configuration-interaction calculations of intermolecular states in molecule-(atom)[sub N] clusters: Application to Br[sub 2]--[sup 4]He[sub N]
15th Nov 2006, 00:26 GMT
Peter M. Felker We describe variational calculations of J=0 intermolecular states in Br[sub 2][sup 4]He[sub N] clusters. The method employed is analogous to configuration-interaction calculations in electronic-structure work and relies on the ability to express the intermolecular Hamiltonian H[sub v] as a sum of on ... [J. Chem. Phys. 125, 184313 (2006)] published Tue Nov 14, 2006.
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