20 citations · 20 across the 1 of their papers we have counts for
2 papers
quant-ph2013★ 20 cited
Monte Carlo evaluation of the equilibrium isotope effects using the Takahashi-Imada factorization of the Feynman path integral
Marcin Buchowiecki, Jiri Vanicek
The Feynman path integral approach for computing equilibrium isotope effects and isotope fractionation corrects the approximations made in standard methods, although at significant…
physics.chem-ph2010
Direct evaluation of the temperature dependence of the rate constant based on the quantum instanton approximation
Marcin Buchowiecki, Jiri Vanicek
A general method for the direct evaluation of the temperature dependence of the quantum-mechanical reaction rate constant in many-dimensional systems is described. The method is ba…