Related papers: Proton Quantum Effects on Electronic Excitation in…
The concept of an exciton as a quasiparticle that represents collective excited states was originally adapted from solid-state physics and has been successfully applied to molecular aggregates by relying on the well-established limits of…
An exciton theory for quasi-one dimensional organic materials is developed in the framework of the Su-Schrieffer-Heeger Hamiltonian augmented by short range extended Hubbard interactions. Within a strong electron-electron correlation…
The theoretical description of materials' properties driven out of equilibrium has important consequences in various fields such as semiconductor spintronics, nonlinear optics, continuous and discrete quantum information science and…
Some approaches to Quantum Gravity (QG) entail decoherence of quantum matter propagating in it, due to an ``environment'' of QG degrees of freedom inaccessible to low-energy observers. In the first part of this talk, I discuss potential,…
Hydrogen bonding interactions between biological chromophores and their surrounding protein and solvent environment significantly affect the photochemical pathways of the chromophore and its biological function. A common first step in the…
We study theoretically the magnetic field effect on a neutral, but polarizable exciton confined in quantum-ring structures. For excitons with a nonzero dipole moment, a novel magnetic interference effect occurs: The ground state of an…
Hydrogen bonds play a pivotal role in chemistry, biology, and condensed-matter physics, where quantum tunnelling can strongly influence structure and dynamics. Isotope substitution (H $\rightarrow$ D) provides a sensitive probe of such…
First-order perturbation theory and many-body Green function analysis are used to quantify the influence of size, surface reconstruction and surface treatment on exciton transport between small silicon quantum dots. Competing radiative…
Quantum interference effects and decoherence mechanisms in single-molecule junctions are analyzed employing a nonequilibrium Green's function approach. Electrons tunneling through quasi-degenerate states of a nanoscale molecular junction…
We investigate the effect of high order radiative corrections in unpolarized electron proton elastic scattering and compare with the calculations at lowest order, which are usually applied to experimental data. Particular attention is…
Enzymes utilize protein architectures to create highly specialized structural motifs that can greatly enhance the rates of complex chemical transformations. Here we use experiments, combined with ab initio simulations that exactly include…
Exciton-polaritons -- hybrid states of photons and excitons -- offer unique avenues for controlling electronic, optical, and chemical properties of materials. However, their modeling is mostly limited to formalisms that wash out atomistic…
This work considers how the properties of hydrogen bonded complexes, D-H....A, are modified by the quantum motion of the shared proton. Using a simple two-diabatic state model Hamiltonian, the analysis of the symmetric case, where the donor…
The effect of eccentricity distortions of core-multishell quantum wires on their electron, hole and exciton states is theoretically investigated. Within the effective mass approximation, the Schrodinger equation is numerically solved for…
We present a theory that efficiently describes the quantum dynamics of an electronic excitation that is coupled to a continuous, highly structured phonon environment. Based on a stochastic approach to non-Markovian open quantum systems, we…
This PhD thesis is devoted to the low-energy structure of the nucleon (proton and neutron) as seen through electromagnetic probes, e.g., electron and Compton scattering. The research presented here is based primarily on dispersion theory…
Electron correlation effects are essential for an accurate ab initio description of molecules. A quantitative a priori knowledge of the single- or multi-reference nature of electronic structures as well as of the dominant contributions to…
Low-energy cosmic rays ($E\lesssim 1$ GeV) are responsible for the ionisation and heating of molecular clouds. While the role of supra-thermal electrons produced in the ionisation process in inducing excitation of the ambient gas (mostly…
Shannon entropies of one- and two-electron atomic structure factors in the position and momentum representations are used to examine the behavior of the off-diagonal elements of density matrices with respect to the uncertainty principle and…
The accurate calculation of the (differential) correlation energy is central to the quantum chemical description of bond-formation and bond-dissociation processes. In order to estimate the quality of single- and multi-reference approaches…