A quasiclassical trajectory study of collisional energy transfer and dissociation in He + H2(v,j) using a new potential energy surface.
Quasiclassical trajectories for He + H2 were carried out using the recent ab initio potential of Boothroyd, Martin, and Peterson (J. Chem. Phys. 2003, 119, 3187) and results for the 348 (v, j) states of H2 are compared to those of earlier calculations that used the potential of Wilson, Kapral, and Burns (Chem. Phys. Lett. 1974, 24, 4884). Examined are the cross sections for energy transfer and dissociation, the extent of threshold elevation, and the interconversion of vibrational and rotational energy. Implications for modeling the interstellar medium are discussed.
Mandy
M E
ME
Program in Chemistry, University of Northern British Columbia, Prince George, British Columbia, V2N 4Z9 Canada.
McNamara
G J
GJ