Related papers: Point-charge electrostatics in disordered alloys
Charge fluctuations in the quasi-one-dimensional material Li0.9Mo6O17 are analyzed based on a multi orbital extended Hubbard model. A charge ordering transition induced by Coulomb repulsion is found with a charge ordering pattern different…
We present exact solutions for two interacting electrons on an artificial atom and on an artificial molecule made by one and two (single level) quantum dots connected by ideal leads. Specifically, we calculate the accumulated charge on the…
The model independent procedure of extracting charge density distributions from elastic electron scattering data is investigated. The charge density distributions are expanded on an orthonormal basis and the parameters of the expansions are…
We present a simple measure of the conductance fluctuations in open ballistic chaotic quantum dots, extending the number of maxima method originally proposed for the statistical analysis of compound nuclear reactions. The average number of…
We investigate end-effects in the ion distribution around strongly charged, flexible polyelectrolytes with a quenched charge distribution by molecular dynamics simulations of dilute polyelectrolyte solutions. We take the counterions…
We examine the effect of structural disorder and dynamical lattice fluctuation on charge migration dynamics starting from a birth of local exciton in a quantum network of molecular aggregates by using model Hamiltonians having complicate…
Laboratory and astrophysical tests of ''constant variation'' have so far concentrated on the dimensionless fine-structure constant $\alpha$ and on the electron or quark mass ratios $X_{e,q}=m_{e,q}/\Lambda_{\text{QCD}}$, treating the QCD…
Many physical theories beyond the Standard Model predict time variations of basic physics parameters. Direct measurement of the time variations of these parameters is very difficult or impossible to achieve. By contrast, measurements of…
New superheavy nuclei are often identified through their characteristic $\alpha$-decay energies, which requires accurate calculations of $Q_{\alpha}$ values. While many $Q_{\alpha}$ predictions are available, little is known about their…
Building up a solid-state material from quantum dots (QD), which are often referred to as artificial atoms, offers the potential to create new materials with unprecedented macroscopic properties. The investigation of the electronic…
The ionic adsorption around a weakly charged spherical colloid, immersed in size-asymmetric 1:1 and 2:2 salts, is studied. We use the primitive model of an electrolyte to perform Monte Carlo simulations as well as theoretical calculations…
We revisit the D-measure of event-by-event net-electric charge fluctuations, an idea first introduced over 20 years ago as a potential signature for the presence of quark-gluon plasma (QGP) in heavy-ion collisions. We developed a…
In this work we investigated the phase behavior of melts of block-copolymers with one charged block by means of dissipative particle dynamics with explicit electrostatic interactions. We assumed that all the Flory-Huggins \c{hi} parameters…
Low-scaling electron correlation theory based on the pair natural orbital approximation, PNO-CCSD(T), has become a powerful computational tool. Motivated by the recent discovery of large errors for organometallic molecules, we assess the…
This study applies response theory to investigate electron charge dynamics, with a particular focus on charge separation. We analytically assess the strengths and limitations of linear and quadratic response theories in describing charge…
Accounting for geometry-induced changes in the electronic distribution in molecular simulation is important for capturing effects such as charge flow, charge anisotropy and polarization. Multipolar force fields have demonstrated their…
We present the STAR preliminary results on mid-rapidity and low transverse momentum mean, standard deviation, skewness, and kurtosis of net-charge and net-proton distributions in Au+Au and Cu+Cu collisions at $\sqrt{s_{NN}}$ = 200 GeV for…
We present a first-principles lattice QCD investigation of second-order fluctuations of and correlations among conserved charges -- baryon number (B), electric charge (Q), and strangeness (S) -- in the presence of external magnetic fields.…
We examine a quantum dot with $N_{\rm dot}$ levels which is strongly coupled to leads for varying number of channels $N$ in the leads. It is shown both analytically and numerically that for strong couplings between the dot and the leads, at…
We compute the energy dependence of the P_T-integrated cross section of directly produced quarkonia in pp collisions at next-to-leading order (NLO), namely up to alpha_s^3, within nonrelativistic QCD (NRQCD). Our analysis is based on the…