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A previously proposed version of quantum transition state theory (QTST) is analyzed in the classical (ℏ → 0) limit. In this limit, the theory becomes classical transition state theory for the particular transition state (TS) used. In addition, a variational choice for the transition state surface for use in this theory is suggested. An alternative quantum transition state theory (QTST2) is presented, and results are presented for symmetric and asymmetric Eckart barriers. Corrections to both theories based on analytic continuation are proposed.
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Hansen et al. (1996) studied this question.
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