About: Electronic coherence dephasing in excitonic molecular complexes: Role of Markov and secular approximation

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Description	We compare four different types of equations of motion for reduced density matrix of a system of molecular excitons interacting with thermodynamic bath. All four equations are of second order in the linear system-bath interaction Hamiltonian, with different approximations applied in their derivation. In particular we compare time-nonlocal equations obtained from so-called Nakajima-Zwanzig identity and the time-local equations resulting from the partial ordering prescription of the cummulant expansion. In each of these equations we alternatively apply secular approximation to decouple population and coherence dynamics from each other. We focus on the dynamics of intraband electronic coherences of the excitonic system which can be traced by coherent two-dimensional spectroscopy. We discuss the applicability of the four relaxation theories to simulations of population and coherence dynamics, and identify features of the two-dimensional coherent spectrum that allow us to distinguish time-nonlocal effects. We compare four different types of equations of motion for reduced density matrix of a system of molecular excitons interacting with thermodynamic bath. All four equations are of second order in the linear system-bath interaction Hamiltonian, with different approximations applied in their derivation. In particular we compare time-nonlocal equations obtained from so-called Nakajima-Zwanzig identity and the time-local equations resulting from the partial ordering prescription of the cummulant expansion. In each of these equations we alternatively apply secular approximation to decouple population and coherence dynamics from each other. We focus on the dynamics of intraband electronic coherences of the excitonic system which can be traced by coherent two-dimensional spectroscopy. We discuss the applicability of the four relaxation theories to simulations of population and coherence dynamics, and identify features of the two-dimensional coherent spectrum that allow us to distinguish time-nonlocal effects. (en)
Title	Electronic coherence dephasing in excitonic molecular complexes: Role of Markov and secular approximation Electronic coherence dephasing in excitonic molecular complexes: Role of Markov and secular approximation (en)
skos:prefLabel	Electronic coherence dephasing in excitonic molecular complexes: Role of Markov and secular approximation Electronic coherence dephasing in excitonic molecular complexes: Role of Markov and secular approximation (en)
skos:notation	RIV/00216208:11320/10:10077504!RIV11-MSM-11320___
http://linked.open...avai/riv/aktivita	P S
http://linked.open...avai/riv/aktivity	P(ME 899), S
http://linked.open...iv/cisloPeriodika	11
http://linked.open...vai/riv/dodaniDat	2011
http://linked.open...aciTvurceVysledku	Mančal, Tomáš Olšina, Jan
http://linked.open.../riv/druhVysledku	J - Článek v odborném periodiku
http://linked.open...iv/duvernostUdaju	S - Úplné a pravdivé údaje nepodléhající ochraně podle zvláštních právních předpisů
http://linked.open...titaPredkladatele	Univerzita Karlova v Praze / Matematicko-fyzikální fakulta
http://linked.open...dnocenehoVysledku	256766
http://linked.open...ai/riv/idVysledku	RIV/00216208:11320/10:10077504
http://linked.open...riv/jazykVysledku	eng - angličtina
http://linked.open.../riv/klicovaSlova	approximation; secular; Markov approximation; excitonic complexes; dephasing; Electronic coherence (en)
http://linked.open.../riv/klicoveSlovo	secular Electronic coherence Markov approximation dephasing excitonic complexes approximation
http://linked.open...odStatuVydavatele	DE - Spolková republika Německo
http://linked.open...ontrolniKodProRIV	[370A603222EB]
http://linked.open...i/riv/nazevZdroje	Journal of Molecular Modeling
http://linked.open...in/vavai/riv/obor	BE
http://linked.open...ichTvurcuVysledku	2 (xsd:int)
http://linked.open...cetTvurcuVysledku	2 (xsd:int)
http://linked.open...vavai/riv/projekt	http://linked.opendata.cz/resource/domain/vavai/projekt/ME%20899
http://linked.open...UplatneniVysledku	2010
http://linked.open...v/svazekPeriodika	16
http://linked.open...iv/tvurceVysledku	Mančal, Tomáš Olšina, Jan
http://linked.open...ain/vavai/riv/wos	000282515400011
issn	1610-2940
number of pages	17 (xsd:int)
http://localhost/t...ganizacniJednotka	11320
is http://linked.open...avai/riv/vysledek of	Electronic coherence dephasing in excitonic molecular complexes: Role of Markov and secular approximation Electronic coherence dephasing in excitonic molecular complexes: Role of Markov and secular approximation Electronic coherence dephasing in excitonic molecular complexes: Role of Markov and secular approximation

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