42 citations · 89 across the 6 of their papers we have counts for
6 papers
A Quasi-Classical Mapping Approach to Vibrationally Coupled Electron Transport in Molecular Junctions
Bin Li, Eli. Y. Wilner, Michael Thoss +2
We develop a classical mapping approach suitable to describe vibrationally coupled charge transport in molecular junctions based on the Cartesian mapping for many-electron systems…
A Cartesian Quasi-classical Model to Nonequilibrium Quantum Transport: The Anderson Impurity Model
Bin Li, Tal J. Levy, David W. H. Swenson +2
We apply the recently proposed quasi-classical approach for a second quantized many-electron Hamiltonian in Cartesian coordinates [J. Chem. Phys. 137, 154107 (2012)] to correlated…
Application of a semiclassical model for the second-quantized many-electron Hamiltonian to nonequilibrium quantum transport: The resonant level model
David W. H. Swenson, Tal Levy, Guy Cohen +2
A semiclassical (SC) approach is developed for nonequilibrium quantum transport in molecular junctions. Following the early work of Miller and White [J. Chem. Phys. 84, 5059 (1986)…
Path integral evaluation of the kinetic isotope effects based on the quantum instanton approximation
Jiri Vanicek, William H. Miller
A general method for computing kinetic isotope effects is described. The method uses the quantum-instanton approximation and is based on the thermodynamic integration with respect…
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…
Optimal choice of dividing surface for the computation of quantum reaction rates
Cristian Predescu, William H. Miller
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