256 citations · 2.6k across the 52 of their papers we have counts for
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On-the-fly ab initio semiclassical dynamics: Identifying degrees of freedom essential for emission spectra of oligothiophenes
Marius Wehrle, Miroslav Sulc, Jiri Vanicek
Vibrationally resolved spectra provide a stringent test of the accuracy of theoretical calculations. We combine the thawed Gaussian approximation (TGA) with an on-the-fly ab initio…
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…