Related papers: Ultrafast excitonic dynamics in DNA: Bridging corr…
Quantum systems with engineered Hamiltonians can be used as simulators of many-body physics problems to provide insights beyond the capabilities of classical computers. Semiconductor gate-defined quantum dot arrays have emerged as a…
We present a detailed investigation of the electronic structure and bonding characteristics of hydrogen-based molecular systems (\ch{H2+}, \ch{H2}, \ch{H2-}) using the Exact Diagonalization Ab Initio (EDABI) approach within the framework of…
Transcription factors are able to associate to their binding sites on DNA faster than the physical limit posed by diffusion. Such high association rates can be achieved by alternating between three-dimensional diffusion and one-dimensional…
We consider the charged exciton complexes of an ideal two-dimensional electron-hole system in the limit of strong magnetic fields. A series of charged multiple-exciton states is identified and variational and finite-size exact…
The competition between electron localization and de-localization in Mott insulators underpins the physics of strongly-correlated electron systems. Photo-excitation, which re-distributes charge between sites, can control this many-body…
Universality of the dynamic characteristic relationship between the characteristic time $t_c$ and the two-electron Coulomb interaction energy $\overline{V}_{12}$ of the ground state in the two-photon double ionization process is…
The exciton dynamics in a molecular heterodimer is studied as a function of differences in excitation and reorganization energies, asymmetry in transition dipole moments and excited state lifetimes. The heterodimer is composed of two…
The structure of DNA in the nucleosome core particle is studied using an elastic model that incorporates anisotropy in the bending energetics and twist-bend coupling. Using the experimentally determined structure of nucleosomal DNA [T.J.…
We study the fluctuational dynamics of a tagged base-pair in double stranded DNA. We calculate the drift force which acts on the tagged base-pair using a potential model that describes interactions at base pairs level and use it to…
We systematically investigate the possible complex transition origin of electronic excitations of giant molecular systems by using the recently proposed QNTO analysis [J.-H. Li, J.-D. Chai, G. Y. Guo and M. Hayashi, Chem. Phys. Lett., 2011,…
The issue of the nucleation and slow closure mechanisms of non superhelical stress-induced denaturation bubbles in DNA is tackled using coarse-grained MetaDynamics and Brownian simulations. A minimal mesoscopic model is used where the…
We study the properties of two electrons with Coulomb interactions in a tight-binding model of La-based cuprate superconductors. This tight-binding model is characterized by long-range hopping obtained previously by advanced quantum…
We consider force-induced unzipping transition for a heterogeneous DNA model with a correlated base-sequence. Both finite-range and long-range correlated situations are considered. It is shown that finite-range correlations increase…
The theoretical description and the properties of Frenkel excitons in non-covalently bonded molecular aggregates are reviewed from a multi-exciton perspective of dissipative quantum dynamics. First, the photophysical and quantum chemical…
We study Coulomb drag between an active layer with a clean electron liquid and a passive layer with a pinned electron lattice in the regime of fast intralayer equilibration. Such a two-fluid system offers an experimentally realizable way to…
We here present a fresh approach to Frenkel excitons in cubic semiconductor crystals, with a special focus on the spin and spatial degeneracies of the electronic states. This approach uses a second quantization formulation of the problem in…
The electrodynamic response of DNA in the millimeter wave range is investigated. By performing measurements under a wide range of humidity conditions and comparing the response of single strand DNA and double strand DNA, we show that the…
Intense light with frequencies above typical atomic or molecular ionization potentials as provided by free-electron lasers couples many photons into extended targets such as clusters and biomolecules. This implies, in contrast to…
We develop an ab initio, non-perturbative, time-dependent Basis Function (tBF) method to solve the nuclear structure and scattering problems in a unified manner. We apply this method to a test problem: the Coulomb excitation of a trapped…
Both theoretical and experimental results for the dynamics of photoexcited electrons at surfaces of Cu and the ferromagnetic transition metals Fe, Co, and Ni are presented. A model for the dynamics of excited electrons is developed, which…