Zobrazeno 1 - 10
of 176
pro vyhledávání: '"Abramavičius, Darius"'
Publikováno v:
Physical Review A 107, 2023
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 relaxation processes. An additional thermalization algorithm may be usefu
Externí odkaz:
http://arxiv.org/abs/2306.05714
Publikováno v:
The Journal of Physical Chemistry A, 126, 2022
Electronic absorption spectrum of beta-carotene (b-Car) is studied using quantum chemistry and quantum dynamics simulations. Vibrational normal modes were computed in optimized geometries of the electronic ground state S0 and the optically bright exc
Externí odkaz:
http://arxiv.org/abs/2306.07286
Publikováno v:
Physical Chemistry Chemical Physics, 25, 2022
We present systematic comparison of three quantum mechanical approaches describing excitation dynamics in molecular complexes using the Time-Dependent variational principle (TDVP) with three increasing sophistication trial wavefunctions (ansatze): Da
Externí odkaz:
http://arxiv.org/abs/2306.00436
Publikováno v:
Physical Chemistry Chemical Physics, 24, 2022
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 wavefunction (Ansatz). Both the electronic and vibrational molecular d
Externí odkaz:
http://arxiv.org/abs/2306.00429
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 extended internal electric fields that drive remaining free charges. T
Externí odkaz:
http://arxiv.org/abs/2212.10927
Publikováno v:
In Chemical Physics 1 January 2025 588
Publikováno v:
M. Jaku\v{c}ionis, D. Abramavi\v{c}ius, Phys. Rev. A 103, 032202 (2021)
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 system. The algorithm allows to control temperature variations of a h
Externí odkaz:
http://arxiv.org/abs/2103.02586
Autor:
Abramavicius, Darius
Publikováno v:
Lith. J. Phys. 60, 154-166 2020
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-mode systems. However it is usually restricted up to two-quanta excit
Externí odkaz:
http://arxiv.org/abs/2006.13559
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 approach with the defined sD2 ansatz. It explicitly accounts for the enta
Externí odkaz:
http://arxiv.org/abs/1912.06363
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