Related papers: Size effect in correlation-driven charge migration…
We study the interplay of intrinsic-electronic and environmental factors on long-range charge transport across molecular chains with up to $N\sim 80$ monomers. We describe the molecular electronic structure of the chain with a tight-binding…
Kinetic Boltzmann equations are used to model the ionization and expansion dynamics of xenon clusters irradiated with short intense VUV pulses. This unified model includes predominant interactions that contribute to the cluster dynamics…
Non-equilibrium processes following the irradiation of atomic clusters with short pulses of vacuum ultraviolet radiation are modelled using kinetic Boltzmann equations. The dependence of the ionization dynamics on the cluster size is…
Electron coupling to intra- and inter-molecular vibrational modes is investigated in models appropriate to single crystal organic semiconductors, such as oligoacenes. Focus is on spectral and transport properties of these systems beyond…
We investigate charge transport within some background medium by means of an effective lattice model with a novel form of fermion-boson coupling. The bosons describe fluctuations of a correlated background. By analyzing groundstate and…
Salt-in-ionic liquid electrolytes have attracted significant attention as potential electrolytes for next generation batteries largely due to their safety enhancements over typical organic electrolytes. However, recent experimental and…
Technological advancements in generation of ultrafast and intense laser pulses have enabled the real-time observation and control of charge migration in molecules on their natural timescale, which ranges from few femtoseconds to several…
Photo-ionization induced ultrafast electron dynamics is considered as a precursor to the slower nuclear dynamics associated with molecular dissociation. Here, using ab initio multielectron wave-packet propagation method, we study the…
We calculate the conductance of atomic chains as a function of their length. Using the Density Matrix Renormalization Group algorithm for a many-body model which takes into account electron-electron interactions and the shape of the…
Under the basic assumption that the observed turbulent motions in molecular clouds are Alfvenic waves or turbulence, we emphasize that the Doppler broadening of molecular line profiles directly measures the velocity amplitudes of the waves…
Straight-chain (normal-propyl cyanide, n - C3H7CN) and branched-chain (iso-propyl cyanide, i - C3H7CN) alkyl cyanides are recently identified in the massive star-forming regions (Sgr B2(N) and Orion). These branched-chain molecules indicate…
An atomic carbon chain joining two graphene flakes was recently realized in a ground-breaking experiment by Jin {\it et al.}, Phys. Rev. Lett. {\bf 102}, 205501 (2009). We present {\it ab initio} results for the electron transport…
Attosecond chemistry involves developing strategies to manipulate electronic coherent waves in molecules, which can influence the outcome of photoinduced reactions. While recent progress in this field calls for investigations of…
The possibility of suddenly ionized molecules undergoing extremely fast electron hole dynamics prior to significant structural change was first recognized more than 20 years ago and termed charge migration. The accurate probing of ultrafast…
Supersonic turbulence in molecular clouds is a dominant agent that strongly affects the clouds' evolution and star formation activity. Turbulence may be initiated and maintained by a number of processes, acting at a wide range of physical…
We report on sytematic measurements of the low frequency conductivity in aequous supensions of highly charged colloidal spheres. System preparation in a closed tubing system results in precisely controlled number densities between 1E16/m3…
We consider quantum fluctuations of the charge on a small metallic grain caused by virtual electron tunneling to a nearby electrode. The average electron number and the effective charging energy are determined by means of perturbation…
Harnessing power-law interactions ($1/r^\alpha$) in a large variety of physical systems are increasing. We study the dynamics of chiral spin chains as a possible multi-directional quantum channel. This arises from the nonlinear character of…
The molecular dissociation energy has often been explained and discussed in terms of singlet bonds, formed by bounded pairs of valence electrons. In this work we use a highly correlated resonating valence bond ansatz, providing a consistent…
We investigate the dynamics following a global parameter quench for two 1D models with variable-range power-law interactions: a long-range transverse Ising model, which has recently been realised in chains of trapped ions, and a long-range…