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Finite-temperature time-dependent variation with multiple Davydov states
(2017)
The Dirac-Frenkel time-dependent variational approach with Davydov Ansätze is a sophisticated, yet efficient technique to obtain an accurate solution to many-body Schrödinger equations for energy and charge transfer dynamics ...
Elucidating the enhancement in optical properties of low band gap polymers by tuning the structure of alkyl side chains
(2015)
We carry out a computational study of optical properties of two novel 5,6-difluorobenzo{[}c{]}{[}1,2,5{]}-thiadiazole-based polymers, PFBT-T12TT and PFBT-T20TT, aimed at elucidating the remarkably higher potential for ...
Superradiance at the localization-delocalization crossover in tubular chlorosomes
(2016)
We study the effect of disorder on spectral properties of tubular chlorosomes in green sulfur bacteria Cf. aurantiacus. Employing a Frenkel-exciton Hamiltonian with diagonal and off-diagonal disorder consistent with spectral ...
Finite temperature dynamics of a Holstein polaron : the thermo-field dynamics approach
(2017)
Combining the multiple Davydov D2 Ansatz with the method of thermo-field dynamics, we study finite temperature dynamics of a Holstein polaron on a lattice. It has been demonstrated, using the hierarchy equations of motion ...
Variational dynamics of the sub-Ohmic spin-boson model on the basis of multiple Davydov D1 states
(2016)
Dynamics of the sub-Ohmic spin-boson model is investigated by employing a multitude of the Davydov D1 trial states, also known as the multi-D1Ansatz. Accuracy in dynamics simulations is improved significantly over the ...
Transient dynamics of a one-dimensional Holstein polaron under the influence of an external electric field
(2017)
Following the Dirac-Frenkel time-dependent variational principle, transient dynamics of a one-dimensional Holstein polaron with diagonal and off-diagonal exciton-phonon coupling in an external electric field is studied by ...
Dynamics of the two-spin spin-boson model with a common bath
(2016)
Dynamics of the two-spin spin-boson model in the presence of Ohmic and sub-Ohmic baths is investigated by employing a multitude of the Davydov D1 trial states, also known as the multi-D1 Ansatz. Its accuracy in dynamics ...
Theory of femtosecond coherent double-pump single-molecule spectroscopy : application to light harvesting complexes
(2015)
We develop a first principles theoretical description of femtosecond double-pump single-molecule signals of molecular aggregates. We incorporate all singly-excited electronic states and vibrational modes with significant ...
Effect of high-frequency modes on singlet fission dynamics
(2017)
Singlet fission is a spin-allowed energy conversion process whereby a singlet excitation splits into two spin-correlated triplet excitations residing on adjacent molecules and has a potential to dramatically increase the ...
Dephasing and dissipation in a source-drain model of light-harvesting systems
(2014)
The energy transport process in natural-light-harvesting systems is investigated by solving the time-dependent Schrödinger equation for a source–network–drain model incorporating the effects of dephasing and dissipation, ...