Related papers: Charge Hopping Dynamics along a Disordered Chain i…
We performed direct calculations of carrier hopping rates in strongly disordered conjugated polymers based on the atomic structure of the system, the corresponding electronic states and their coupling to all phonon modes. We found that the…
Following the calculation of optimal energy transfer in thermal environment in our first paper (Wu et al., New J. Phys., 2010, 12, 105012), full quantum dynamics and leading-order `classical' hopping kinetics are compared in the seven-site…
We present a graph random walk (GRW) method for the study of charge transport properties of complex molecular materials in the time-of-flight regime. The molecules forming the material are represented by the vertices of a directed weighted…
This paper investigates the temperature dependence of quantum information scrambling in local systems with an energy gap, $m$, above the ground state. We study the speed and shape of growing Heisenberg operators as quantified by…
Fermi's Golden Rule (FGR) is one of the most impactful formulas in quantum mechanics, providing a link between easy-to-measure observables - such as transition rates - and fundamental microscopic properties - such as density of states or…
We discuss a method by which quantum fluctuations can be included in microscopic transport models based on wave packets that are not energy eigenstates. By including the next-to-leading order term in the cumulant expansion of the…
The complex interplay between charge and spin dynamics lies at the heart of strongly correlated quantum materials, and it is a fundamental topic in basic research with far reaching technological perspectives. We explore in this paper the…
We consider two types of strongly disordered one-dimensional Hamiltonian systems coupled to baths (energy or particle reservoirs) at the boundaries: strongly disordered quantum spin chains and disordered classical harmonic oscillators.…
We study the dynamics of quantum excitations inside macromolecules which can undergo conformational transitions. In the first part of the paper, we use the path integral formalism to rigorously derive a set of coupled equations of motion…
We study the effect of electron hopping in triple quantum dots modelled by the three-impurity Anderson model. We determine the range of hopping parameters where the system exhibits the two-channel Kondo effect and has non-Fermi-liquid…
We investigate effects of Coulomb interaction and hopping transport in the insulator phase of granular metals and quantum dot arrays. We consider a spatially periodic as well as an irregular array, including disorder in a form of a random…
We study the continuous time quantum walk of a single particle (initially localized at a single site) on a one-dimensional spatial lattice with complex nearest neighbour and next-nearest neighbour hopping amplitudes. Complex couplings lead…
Good metals are characterised by diffusive transport of coherent quasi-particle states and the resistivity is much less than the Mott-Ioffe-Regel (MIR) limit, $\frac{ha}{e^{2}}$, where $a$ is the lattice constant. In bad metals, such as…
We use a general diagrammatic formalism based on a local conductivity approach to compute electronic transport in continuous media with long-range disorder, in the absence of quantum interference effects. The method allows us then to…
The rapid development of optical technologies and applications revealed the critical role of point defects affecting device performance. One of the powerful tools to study influence of defects on charge capture and recombination processes…
Consider a multichannel closed ring with disorder. In the semiclassical treatment its conductance is given by the Drude formula. Quantum mechanics challenge this result both in the limit of strong disorder (eigenstates are not…
We consider the problem of energy transport in a chain of coupled quantum systems with the goal of shedding light on how nonclassical resources can affect transport. We study the cases for which either coherent or incoherent energy hopping…
An extension of the CCS-method [Chem. Phys. 2004, 304, p. 103-120] for simulating non-adiabatic dynamics with quantum effects of the nuclei is put forward. The time-dependent Schr\"{o}dinger equation for the motion of the nuclei is solved…
Fermi's golden rule is of great importance in quantum dynamics. However, in many textbooks on quantum mechanics, its contents and limitations are obscured by the approximations and arguments in the derivation, which are inevitable because…
We use first-principle Quantum Monte-Carlo (QMC) simulations and numerical exact diagonalization to analyze the low-frequency charge carrier mobility within a simple tight-binding model of molecular organic semiconductors on a…