81 citations · 128 across the 5 of their papers we have counts for
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Thermalization of open quantum systems using the multiple-Davydov-D2 variational approach
Mantas Jakucionis, Darius Abramavicius
Numerical implementation of an explicit phonon bath requires a large number of oscillator modes in order to maintain oscillators at the initial temperature when modeling energy rel…
Simulation of ab initio optical absorption spectrum of β-carotene with fully resolved S_{0} and S_{2} vibrational normal modes
Mantas Jakučionis, Ignas Gaižiūnas, Juozas Šulskus +1
Electronic absorption spectrum of beta-carotene (b-Car) is studied using quantum chemistry and quantum dynamics simulations. Vibrational normal modes were computed in optimized geo…
Inspecting molecular aggregate quadratic vibronic coupling effects using squeezed coherent states
Mantas Jakučionis, Agnius Žukas, Darius Abramavičius
We present systematic comparison of three quantum mechanical approaches describing excitation dynamics in molecular complexes using the Time-Dependent variational principle (TDVP)…
Modeling Molecular J and H Aggregates using Multiple-Davydov D2 Ansatz
Mantas Jakučionis, Agnius Žukas, Darius Abramavičius
The linear absorption spectrum of J and H molecular aggregates is studied using the time-dependent Dirac-Frenkel variational principle (TDVP) with the multi-Davydov D2 (mD2) trial…
Revealing a full quantum ladder by nonlinear spectroscopy
Darius Abramavicius
Coherent two-dimensional spectroscopy in IR or visible region is very effective for studying correlations, energy relaxation/transfer pathways in complex multi-chromophore or multi…
Modeling Non-Reversible Molecular Internal Conversion Using the Time-dependent Variational Approach with sD2 Ansatz
Mantas Jakučionis, Tomas Mancal, Darius Abramavičius
Effects of non-linear coupling between the system and the bath vibrational modes on the system internal conversion dynamics are investigated using the Dirac-Frenkel variational app…