Classical correlations of defects in lattices with geometrical frustration in the motion of a particle

We map certain highly correlated electron systems on lattices with geometrical frustration in the motion of added particles or holes to the spatial defect-defect correlations of dimer models in different geometries. These models are studied analytically and numerically. We consider different coverings for four different lattices: square, honeycomb, triangular, and diamond. In the case of hard-core dimer covering, we verify the existed results for the square and triangular lattice and obtain new ones for the honeycomb and the diamond lattices while in the case of loop covering we obtain new numerical results for all the lattices and use the existing analytical Liouville field theory for the case of square lattice.The results show power-law correlations for the square and honeycomb lattice, while exponential decay with distance is found for the triangular and exponential decay with the inverse distance on the diamond lattice. We relate this fact with the lack of bipartiteness of the triangular lattice and in the latter case with the three-dimensionality of the diamond. The connection of our findings to the problem of fractionalized charge in such lattices is pointed out.Comment: 6 pages, 6 figures, 1 tabl

Quantum simulations of the superfluid-insulator transition for two-dimensional, disordered, hard-core bosons

We introduce two novel quantum Monte Carlo methods and employ them to study the superfluid-insulator transition in a two-dimensional system of hard-core bosons. One of the methods is appropriate for zero temperature and is based upon Green's function Monte Carlo; the other is a finite-temperature world-line cluster algorithm. In each case we find that the dynamical exponent is consistent with the theoretical prediction of $z=2$ by Fisher and co-workers.Comment: Revtex, 10 pages, 3 figures (postscript files attached at end, separated by %%%%%% Fig # %%%%%, where # is 1-3). LA-UR-94-270

Thermodynamics and Excitations of Condensed Polaritons in Disordered Microcavities

We study the thermodynamic condensation of microcavity polaritons using a realistic model of disorder in semiconductor quantum wells. This approach correctly describes the polariton inhomogeneous broadening in the low density limit, and treats scattering by disorder to all orders in the condensed regime. While the weak disorder changes the thermodynamic properties of the transition little, the effects of disorder in the condensed state are prominent in the excitations and can be seen in resonant Rayleigh scattering.Comment: 5 pages, 3 eps figures (published version

Center of mass and relative motion in time dependent density functional theory

It is shown that the exchange-correlation part of the action functional $A_{xc}[\rho (\vec r,t)]$ in time-dependent density functional theory , where $\rho (\vec r,t)$ is the time-dependent density, is invariant under the transformation to an accelerated frame of reference $\rho (\vec r,t) \to \rho ' (\vec r,t) = \rho (\vec r + \vec x (t),t)$, where $\vec x (t)$ is an arbitrary function of time. This invariance implies that the exchange-correlation potential in the Kohn-Sham equation transforms in the following manner: $V_{xc}[\rho '; \vec r, t] = V_{xc}[\rho; \vec r + \vec x (t),t]$. Some of the approximate formulas that have been proposed for $V_{xc}$ satisfy this exact transformation property, others do not. Those which transform in the correct manner automatically satisfy the ``harmonic potential theorem", i.e. the separation of the center of mass motion for a system of interacting particles in the presence of a harmonic external potential. A general method to generate functionals which possess the correct symmetry is proposed

Green Function Monte Carlo with Stochastic Reconfiguration

A new method for the stabilization of the sign problem in the Green Function Monte Carlo technique is proposed. The method is devised for real lattice Hamiltonians and is based on an iterative ''stochastic reconfiguration'' scheme which introduces some bias but allows a stable simulation with constant sign. The systematic reduction of this bias is in principle possible. The method is applied to the frustrated J1-J2 Heisenberg model, and tested against exact diagonalization data. Evidence of a finite spin gap for J2/J1 >~ 0.4 is found in the thermodynamic limit.Comment: 13 pages, RevTeX + 3 encapsulated postscript figure

Efficient method for simulating quantum electron dynamics under the time dependent Kohn-Sham equation

A numerical scheme for solving the time-evolution of wave functions under the time dependent Kohn-Sham equation has been developed. Since the effective Hamiltonian depends on the wave functions, the wave functions and the effective Hamiltonian should evolve consistently with each other. For this purpose, a self-consistent loop is required at every time-step for solving the time-evolution numerically, which is computationally expensive. However, in this paper, we develop a different approach expressing a formal solution of the TD-KS equation, and prove that it is possible to solve the TD-KS equation efficiently and accurately by means of a simple numerical scheme without the use of any self-consistent loops.Comment: 5 pages, 3 figures. Physical Review E, 2002, in pres

Effect of inter-wall surface roughness correlations on optical spectra of quantum well excitons

We show that the correlation between morphological fluctuations of two interfaces confining a quantum well strongly suppresses a contribution of interface disorder to inhomogeneous line width of excitons. We also demonstrate that only taking into account these correlations one can explain all the variety of experimental data on the dependence of the line width upon thickness of the quantum well.Comment: 13 pages, 8 figures, Revtex4, submitted to PR

Exciton-plasmon states in nanoscale materials: breakdown of the Tamm-Dancoff approximation

Within the Tamm-Dancoff approximation ab initio approaches describe excitons as packets of electron-hole pairs propagating only forward in time. However, we show that in nanoscale materials excitons and plasmons hybridize, creating exciton--plasmon states where the electron-hole pairs oscillate back and forth in time. Then, as exemplified by the trans-azobenzene molecule and carbon nanotubes, the Tamm-Dancoff approximation yields errors as large as the accuracy claimed in ab initio calculations. Instead, we propose a general and efficient approach that avoids the Tamm--Dancoff approximation, and correctly describes excitons, plasmons and exciton-plasmon states

Ground state parameters, finite-size scaling, and low-temperature properties of the two-dimensional S=1/2 XY model

We present high-precision quantum Monte Carlo results for the S=1/2 XY model on a two-dimensional square lattice, in the ground state as well as at finite temperature. The energy, the spin stiffness, the magnetization, and the susceptibility are calculated and extrapolated to the thermodynamic limit. For the ground state, we test a variety of finite-size scaling predictions of effective Lagrangian theory and find good agreement and consistency between the finite-size corrections for different quantities. The low-temperature behavior of the susceptibility and the internal energy is also in good agreement with theoretical predictions.Comment: 6 pages, 8 figure

Two-dimensional Superfluidity and Localization in the Hard-Core Boson Model: a Quantum Monte Carlo Study

Quantum Monte Carlo simulations are used to investigate the two-dimensional superfluid properties of the hard-core boson model, which show a strong dependence on particle density and disorder. We obtain further evidence that a half-filled clean system becomes superfluid via a finite temperature Kosterlitz-Thouless transition. The relationship between low temperature superfluid density and particle density is symmetric and appears parabolic about the half filling point. Disorder appears to break the superfluid phase up into two distinct localized states, depending on the particle density. We find that these results strongly correlate with the results of several experiments on high-$T_c$ superconductors.Comment: 10 pages, 3 figures upon request, RevTeX version 3, (accepted for Phys. Rev. B