Polaronic effects at finite temperatures in the B850 ring of the LH2 complex

2016 ◽  
Vol 18 (11) ◽  
pp. 7966-7977 ◽  
Author(s):  
Vladimir Chorošajev ◽  
Olga Rancova ◽  
Darius Abramavicius
Keyword(s):  
Energy Transfer ◽  
Variational Approach ◽  
Time Dependent ◽  
Molecular Aggregates ◽  
Relaxation Dynamics ◽  
Stochastic Time

Energy transfer and relaxation dynamics in the B850 ring of LH2 molecular aggregates are described, taking into account the polaronic effects, by a stochastic time-dependent variational approach.

Benchmarking the stochastic time-dependent variational approach for excitation dynamics in molecular aggregates

2016 ◽  
Vol 481 ◽  
pp. 108-116 ◽  
Author(s):  
Vladimir Chorošajev ◽  
Andrius Gelzinis ◽  
Leonas Valkunas ◽  
Darius Abramavicius
Keyword(s):  
Variational Approach ◽  
Time Dependent ◽  
Molecular Aggregates ◽  
Stochastic Time ◽  
Excitation Dynamics

WIGNER MEASURES AND MOLECULAR PROPAGATION THROUGH GENERIC ENERGY LEVEL CROSSINGS

2003 ◽  
Vol 15 (10) ◽  
pp. 1285-1317 ◽  
Author(s):  
CLOTILDE FERMANIAN KAMMERER
Keyword(s):  
Energy Transfer ◽  
Normal Form ◽  
Energy Level ◽  
Point Of View ◽  
Time Dependent ◽  
Type B ◽  
Unified Framework ◽  
Level Crossings ◽  
Normal Form Theorem ◽  
Uniformly Bounded

We study the time-dependent Schrödinger equation with matrix-valued potential presenting a generic crossing of type B, I, J or K in Hagedorn's classification. We use two-scale Wigner measures for describing the Landau–Zener energy transfer which occurs at the crossing. In particular, in the case of multiplicity 2 eigenvalues, we calculate precisely the change of polarization at the crossing. Our method provides a unified framework in which codimension 2, 3 or 5 crossings can be discussed. We recover Hagedorn's result for wave packets, from Wigner measure point of view, and extend them to any data uniformly bounded in L2. The proof is based on a normal form theorem which reduces the problem to an operator-valued Landau–Zener formula.

scholarly journals Modeling irreversible molecular internal conversion using the time-dependent variational approach with sD2 ansatz

2020 ◽  
Vol 22 (16) ◽  
pp. 8952-8962
Author(s):  
Mantas Jakučionis ◽  
Tomas Mancal ◽  
Darius Abramavičius
Keyword(s):  
Energy Dissipation ◽  
Thermal Energy ◽  
Variational Approach ◽  
Internal Conversion ◽  
Time Dependent ◽  
Thermal Energy Dissipation

A model of irreversible molecular internal conversion dynamics due to molecular thermal energy dissipation to the bath is presented.

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