84 citations · 1.1k across the 49 of their papers we have counts for
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physics.chem-ph2009★ 37 cited
Path integral evaluation of equilibrium isotope effects
Tomas Zimmermann, Jiri Vanicek
A general and rigorous methodology to compute the quantum equilibrium isotope effect is described. Unlike standard approaches, ours does not assume separability of rotational and v…
physics.chem-ph2009★ 17 cited
Efficient evaluation of accuracy of molecular quantum dynamics using dephasing representation
Baiqing Li, Cesare Mollica, Jiri Vanicek
Ab initio methods for electronic structure of molecules have reached a satisfactory accuracy for calculation of static properties, but remain too expensive for quantum dynamical ca…