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 ...

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 ...

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 ...

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 ...

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 ...

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 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 ...

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 ...

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 ...

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, ...