Quasiclassical trajectory calculations for H+H2(γ=1) on a new potential energy surface

Quasiclassical trajectory calculations for the H+H2 reaction with vibrationally excited molecules have been carried out on the Porter-Karplus (PK) and the accurate Siegbahn-Liu-Truhlar-Horowitz (SLTH) potential surfaces. Agreement with other calculations for the PK surface is good. The vibrational relaxation rate constant for the SLTH surface is somewhat lower than that found experimentally; the total reactive rate constant is considerably smaller than experiment. (Auth.)