69 citations · 150 across the 5 of their papers we have counts for
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physics.chem-ph2005★ 13 cited
Path-integral virial estimator for reaction rate calculation based on the quantum instanton approximation
Sandy Yang, Takeshi Yamamoto, William H. Miller
The quantum instanton approximation is a type of quantum transition state theory that calculates the chemical reaction rate using the reactive flux correlation function and its low…
physics.chem-ph2005★ 69 cited
Path integral virial estimator based on the scaling of fluctuation coordinates: Application to quantum clusters with fourth-order propagators
Takeshi M. Yamamoto
We first show that a simple scaling of fluctuation coordinates defined in terms of a given reference point gives the conventional virial estimator in discretized path integral, whe…