THE BENDING-CORRECTED-ROTATING-LINEAR-MODEL CALCULATIONS OF THE RATE CONSTANTS FOR THE H+H2 REACTION AND ITS ISOTOPIC VARIANTS AT LOW-TEMPERATURES - THE EFFECT OF VANDERWAALS WELL

The reactive cross sections for the H + H2 reaction and its isotopic variants at low collision energies have been calculated using the bending-corrected-rotating-linear model on the Liu-Siegbahn-Truhlar-Horowitz and double-many-body-expansion potential energy surfaces. Van der Waals wells included in both potential surfaces significantly affected the calculated rate constants at the temperatures lower than 10 K. The difference in the effect between two potential surfaces resulted from whether or not the bound state of H3 is formed and how close the bound state is located to the dissociation threshold. © 1990 American Institute of Physics.