相关论文: Dynamic charge density correlation function in wea…
We calculate the ground-state energy, pair correlation function, static structure factor, and momentum density of the one-dimensional electron fluid at high density using variational quantum Monte Carlo simulation. For an infinitely thin…
Brownian motion and viscoelasticity of semiflexible polymers is a subject that has been studied for many years. Still, rigorous analysis has been hindered due to the difficulty in handling the constraint that polymer chains cannot be…
A systematic study of the properties of particle and charge correlation functions in the two-dimensional Coulomb gas confined to a one-dimensional domain is undertaken. Two versions of this system are considered: one in which the positive…
We compute lattice correlation functions for the model of critical dense polymers on a semi-infinite cylinder of perimeter $n$. In the lattice loop model, contractible loops have a vanishing fugacity whereas non-contractible loops have a…
According to time-dependent density functional theory, the exact exchange-correlation kernel f$_{xc}$(n, q, $\omega$) determines not only the ground-state energy but also the excited-state energies/lifetimes and time-dependent linear…
Single partially confined collapsed polymers are studied in two dimensions. They are described by self-avoiding random walks with nearest-neighbour attractions below the $\Theta$-point, on the surface of an infinitely long cylinder. For the…
We derive the exchange-correlation potential corresponding to the nonlocal van der Waals density functional [M. Dion, H. Rydberg, E. Schroder, D. C. Langreth, and B. I. Lundqvist, Phys. Rev. Lett. 92, 246401 (2004)]. We use this potential…
The non-equilibrium structural and dynamical properties of a flexible polymer tethered to a reflecting wall and subject to oscillatory linear flow are studied by numerical simulations. Polymer is confined in two dimensions and is modeled as…
We present a theory for the equilibrium structure of polyelectrolyte solutions. The main element is a simple, new optimization scheme that allows theories such as the random phase approximation (RPA) to handle the harsh repulsive forces…
We theoretically study the polarizability and the interactions of neutral complexes consisting of a semi-flexible polyelectrolyte adsorbed onto an oppositely charged spherical colloid. In the systems we studied, the bending energy of the…
We study a simple model of conducting polymers in which a single electron propagates through a randomly tangled chain. The model has the geometry of a small-world network, with a small density $p$ of crossings of the chain acting as…
Characteristics of relaxed density profile and conformation of polymer chains are studied by a Monte Carlo simulation on a discrete lattice in three dimensions using different segmental (kink-jump $K$, crank-shaft $C$, reptation $R$)…
Presenting theoretical arguments and numerical results we demonstrate long-range intrachain correlations in concentrated solutions and melts of long flexible polymers which cause a systematic swelling of short chain segments. They can be…
We present a theoretical model for understanding the kinetics of a long polymer in solution. A Smoluchowski-like equation has been used to model the problem of polymer looping with a Dirac delta function sink of finite strength. The results…
For field theories with a topological charge Q, it is often of interest to measure the topological susceptibility chi_t = ( < Q^2 > - < Q >^2 ) / V. If we manage to perform a Monte Carlo simulation where Q changes frequently, chi_t can be…
We consider a model mixture of hard colloidal spheres and non-adsorbing polymer chains in a theta solvent. The polymer component is modelled as a polydisperse mixture of effective spheres, mutually noninteracting but excluded from the…
Momentum and doping dependence of the static charge susceptibility \chi(q) in the t-t'-J model is investigated. Correlations lead to a strongly momentum dependent renormalization of \chi(q). The charge susceptibility near (\pi,\pi) region…
We calculate the optical spectra of silicon and germanium in the adiabatic time-dependent density functional formalism, making use of kinetic energy density-dependent (meta-GGA) exchange-correlation functionals. We find excellent agreement…
We investigate a system of dense polyelectrolytes in solution. The Langevin dynamics of the system with linearized hydrodynamics is formulated in the functional integral formalism and a transformation made to collective coordinates. Within…
We investigate conformations and dynamics of a polymer considering its monomers to be active Brownian particles. This active polymer shows very intriguing physical behavior which is absent in an active Rouse chain. The chain initially…