科研之友
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摘要
A recently formulated quantum transition state theory is applied to scattering over an Eckart barrier coupled bilinearly to a harmonic mode. Results are compared with the numerically exact and the centroid density method computations of McRae ct al. [J. Chem. Phys. 97, 7392 (1992)]. We find that quantum transition state theory is of comparable accuracy to the centroid approximation for all parameter ranges studied.
- 出版日期1999-1-1
