M. Senba et al., Hot atom reaction yields in Mu(*)+H-2 and T-*+H-2 from quasiclassical trajectory cross sections on the Liu-Siegbahn-Truhlar-Horowitz surface, J CHEM PHYS, 112(21), 2000, pp. 9390-9403
In order to provide an assessment of the "global" accuracy of the Liu-Siegb
ahn-Truhlar-Horowitz (LSTH) potential surface for H-3, hot atom reaction yi
elds, which are determined from collision processes over an energy range mu
ch wider than that of single-collision experiments, have been calculated fo
r the Mu*+H-2 and T*+H-2 systems. The isotopic comparison of muonium (Mu=mu
(+)e(-)), an ultralight isotope of hydrogen (m(Mu)/m(H)approximate to 1/9),
with the heaviest H-atom isotope, tritium, is a novel approach in testing
the global accuracy of the H-3 surface. These reaction yields have been cal
culated using a formalism developed for (mu(+)) charge exchange, with input
cross sections for elastic, inelastic (rovibrational excitation) and react
ive collisions determined from quasi classical trajectories on the LSTH sur
face, in the center-of-mass energy range 0.5-11 eV. The rate of energy loss
of the hot atom (Mu* or T*) due to elastic and inelastic collisions with t
he moderator (H-2) drastically affects the hot atom reaction yield. In part
icular, the forwardness of the angular differential cross section for the e
lastic process plays a crucial role in determining the stopping power for h
ot atoms. Good agreement is obtained in the absolute yields for both Mu(*)H-2 and T-*+H-2, for the first time from microscopic cross sections, demons
trating that the LSTH surface remains surprisingly accurate over a wide ran
ge of energy and isotopic mass. (C) 2000 American Institute of Physics. [S0
021- 9606(00)01920-6].