84 citations · 1.1k across the 49 of their papers we have counts for
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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…
Improving the accuracy and efficiency of time-resolved electronic spectra calculations: Cellular dephasing representation with a prefactor
Eduardo Zambrano, Miroslav Sulc, Jiri Vanicek
Time-resolved electronic spectra can be obtained as the Fourier transform of a special type of time correlation function known as fidelity amplitude, which, in turn, can be evaluat…
Relation of exact Gaussian basis methods to the dephasing representation: Theory and application to time-resolved electronic spectra
Miroslav Šulc, Henar Hernández, Todd J. Martínez +1
We recently showed that the Dephasing Representation (DR) provides an efficient tool for computing ultrafast electronic spectra and that further acceleration is possible with cellu…
Imaginary-time nonuniform mesh method for solving the multidimensional Schrodinger equation: Fermionization and melting of quantum Lennard-Jones crystals
Alberto Hernando, Jiri Vanicek
An imaginary-time nonuniform mesh method is presented and used to find the first 50 eigenstates and energies of up to five strongly interacting spinless quantum Lennard-Jones parti…