SCHEDULED MAINTENANCE
We have devised a fully empirical procedure for generating chemically accurate (i.e., within a few kcal mol–1) potential hypersurfaces for triatomic bimolecular reaction systems. The procedure is described and applied to the H3 system. Calibration of the H3 empirical surface by comparison with the best ab initio H3 surface suggests considerable utility of the empirical procedure.
O. Kafri and M. J. Berry, Faraday Discuss. Chem. Soc., 1977, 62, 127 DOI: 10.1039/DC9776200127
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