Stark-Werner potential energy surface

K. Stark, H-J. Werner, An accurate multireference configuration interaction calculation of the potential energy surface for the F+H2 HF+H reaction, J. Chem. Phys. 104 (1996) 6515. 

Because of their experimental accessibility, the reactions of F and Cl withH2 and its isotopomers have become paradigms for exothermic triatomic reactions.[l] The high-quality ab initio F+H2 potential energy surface (PES) of Stark and Werner (SW)... 

Figure 5.4 Ab initio computed potential energy surface and the corresponding contour map for the collinear configuration of FH2. Energy in kcal mol and the zero of energy is taken here to be at the reactants well. The contour extending from the reactants to the products region is at 3kcal mol T Below it are contours at 1.5, 0, -5, -10,-15, -20 and -25 kcal mol [drawn from the results of K. Stark and H.-J. Werner, J. Chem. Phys. 104, 6515 (1996)1.

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