248 citations · 730 across the 19 of their papers we have counts for
19 papers
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…
Charge trapping and recombination in dipolar field of charged defect cluster in silicon
Darius Abramavicius, Juozas Vidmantis Vaitkus
Extensive irradiation of silicon crystal sensors by high energy particles in e. g. accelerators yield defect clusters of different types. Trapping of electrons and holes result in…
Temperature Controlled Open Quantum System Dynamics using Time-dependent Variational Method
Mantas Jakučionis, Darius Abramavičius
Dirac-Frenkel variational method with Davydov D2 trial wavefunction is extended by introducing a thermalization algorithm and applied to simulate dynamics of a general open quantum…