相关论文: Dynamic charge density correlation function in wea…
Based on the Wilemski-Fixman approach (J. Chem. Phys. 60, 866 (1974)) we showed that for a flexible chain in theta solvent hydrodynamic interaction treated with an pre-averaging approximation makes ring closing faster if the chain is not…
The super-cooled $N3$ model exhibits an increasingly slow dynamics as density approaches the model's random closest packing density. Here, we present a direct measurement of the dynamical correlation function $G_4(r,t)$, showing the…
We study correlations of atomic density in a weakly interacting Bose-Einstein condensate, expanding diffusively in a random potential. We show that these correlations are long-range and that they are strongly enhanced at long times. Density…
An expression for the dynamic density response function has been obtained for an interacting quantum gas in Random Phase Approximation (RPA) including first order self and exchange contribution. It involves the single particle wave…
Novel implementations based on dense tensor storage are presented for the singlet-reference perfect quadruples (PQ) [Parkhill, Lawler, and Head-Gordon, J. Chem. Phys. 130, 084101 (2009)] and perfect hextuples (PH) [Parkhill and Head-Gordon,…
We present an exact diagonalization study of the dynamical spin and density correlation functions in small clusters of 2D t-J model for intermediate and low electron densities, rho<0.7. Both correlation functions agree remarkably well with…
A non--singlet QCD analysis of the structure function $F_2(x,q^2)$ in LO, NLO, NNLO and N$^3$LO is performed based on the world data for charged lepton scattering. We determine the valence quark parton densities and present their…
The conformation of polyelectrolytes in the solution state has long been of interest in polymer science. Herein we utilize all atom molecular dynamics simulations (MD) and small-angle x-ray scattering experiments (SAXS) to elucidate the…
Large scale simulations of two-dimensional bidisperse granular fluids allow us to determine spatial correlations of slow particles via the four-point structure factor $S_4(q,t)$. Both cases, elastic ($\varepsilon=1$) as well as inelastic…
A variational approach is considered to calculate the free energy and the conformational properties of a polyelectrolyte chain in $d$ dimensions. We consider in detail the case of pure Coulombic interactions between the monomers, when…
Similarly-charged polyelectrolytes are known to attract each other and aggregate into bundles when the charge density of the polymers exceeds a critical value that depends on the valency of the counterions. The dynamics of aggregation of…
Conformations of a single-component bottle-brush polymer with a fully flexible backbone under poor solvent conditions are studied by molecular-dynamics simulations, using a coarse-grained bead-spring model with side chains of up to N=40…
The dynamic density response function, form-factor, and spectral function of a Luttinger liquid with Coulomb electron-electron interaction are studied with the emphasis on the short-range electron correlations. The Coulomb interaction…
We present exact spatio-temporal correlation functions of a Rouse polymer chain submerged in a fluid having planar mixed flow, in the steady state. Using these correlators, determination of the time scale distribution functions associated…
We present a statistical model of a dilute polymer solution in good solvent in the presence of low-molecular weight cosolvent. We investigate the conformational changes of the polymer induced by a change of the cosolvent concentration and…
A quasi one-dimensional layered material, CuTe undergoes a charge density wave (CDW) transition in Te chains with a modulation vector of $q_{CDW}=(0.4, 0.0, 0.5)$. Despite the clear experimental evidence for the CDW, the theoretical…
An explicit expression for the quadratic density-response function of a many-electron system is obtained in the framework of the time-dependent density-functional theory, in terms of the linear and quadratic density-response functions of…
We use a coarse-grained molecular dynamics model to study the electrophoretic behaviour of flexible polyelectrolyte chains. We first characterize the static properties of the model with respect to the chain length, the polyelectrolyte…
At low energies the charge sector of one dimensional Mott insulators can be described in terms of a quantum Sine-Gordon model. Using exact results derived from integrability it is possible to determine dynamical properties like the…
We present simulations on charged polymers in poor solvent. First we investigate in detail the dilute concentration range with and without imposed extension constraints. The resulting necklace polymer conformations are analyzed in detail.…