Andrzej Eilmes

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We examine the localization properties of the 2D Anderson Hamiltonian with off-diagonal disorder. Investigating the behavior of the participation numbers of eigenstates as well as studying their multifractal properties, we find states in the center of the band which show critical behavior up to the system size N = 200×200 considered. This result is(More)
We study the influence of many-particle interactions on a metal-insulator transition. We consider the two-interacting-particle problem for onsite interacting particles on a one-dimensional quasiperiodic chain, the so-called Aubry-André model. We show numerically by the decimation method and finite-size scaling that the interaction does not modify the(More)
To investigate the influence of electronic interaction on the metal-insulator transition (MIT), we consider the Aubry-André (or Harper) model which describes a quasiperiodic one-dimensional quantum system of non-interacting electrons and exhibits an MIT. For a two-particle system, we study the effect of a Hubbard interaction on the transition by means of(More)
Binding energies of ion triplets formed in ionic liquids by Li(+) with two anions have been studied using quantum-chemical calculations with implicit and explicit solvent supplemented by molecular dynamics (MD) simulations. Explicit solvent approach confirms variation of solute-ionic liquid interactions at distances up to 2 nm, resulting from structure of(More)
We present an n-fold way kinetic Monte Carlo simulation of the hopping motion of Li+ ions in polyethylene on a grid of mesh 0.36 A superimposed on the voids of the rigid polymer. The structure of the polymer is derived from a higher-order simulation, and the energy of the ion at each site is derived by the self-consistent polarization field method. The ion(More)
Polarization energies are calculated for a single excess charge on a polyethylene chain in amorphous polyethylene using (i) local segment and nonlocal distributed molecular polarizabilities, (ii) material structures simulated by both general-purpose and specialist Monte Carlo software, and (iii) uniform and Gaussian distributions of charge with different(More)
We investigate the scaling properties of the two-dimensional (2D) Anderson model of localization with purely off-diagonal disorder (random hopping). In particular, we show that for small energies the infinite-size localization lengths as computed from transfer-matrix methods together with finite-size scaling diverge with a power-law behavior. The(More)
Quantum-chemical calculations and classical molecular dynamics simulations with the Optimized Potentials for Liquid Simulations-All Atom (OPLS-AA) force field are presented for ionic liquids based on 2,5,8,11-tetraoxatridecan-13-oate anion (TOTO) and alkali cations (Li, Na, K). Complexation energies decrease with increasing cation radius from Li to K.(More)