Rigoberto Hernandez and William H. Miller
Department of Chemistry,
University of California, and
Chemical Sciences Division,
Lawrence Berkeley Laboratory
Berkeley, California 94720
The semiclassical transition state theory (SCTST)
introduced by Miller, Hernandez, Handy, Jayatilaka and
Willetts[1]
requires the inversion of an (effectively integrable)
Hamiltonian with respect to the action of the
reactive coordinate.
In this paper, it is shown that the inversion may be avoided in
computing the thermal rate constant; the resulting expression
also provides an appealing link to conventional transition state theory.
This reformulation of the SCTST rate is illustrated
by application to the bimolecular reaction,
, and to the unimolecular
dissociation, 
.
