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

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

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

A self-consistent perturbative evaluation of ground state energies: application to cohesive energies of spin lattices

The work presents a simple formalism which proposes an estimate of the ground state energy from a single reference function. It is based on a perturbative expansion but leads to non linear coupled equations. It can be viewed as well as a modified coupled cluster formulation. Applied to a series of spin lattices governed by model Hamiltonians the method leads to simple analytic solutions. The so-calculated cohesive energies are surprisingly accurate. Two examples illustrate its applicability to locate phase transition.Comment: Accepted by Phys. Rev.

Finite-Size Scaling of the Ground State Parameters of the Two-Dimensional Heisenberg Model

The ground state parameters of the two-dimensional S=1/2 antiferromagnetic Heisenberg model are calculated using the Stochastic Series Expansion quantum Monte Carlo method for L*L lattices with L up to 16. The finite-size results for the energy E, the sublattice magnetization M, the long-wavelength susceptibility chi_perp(q=2*pi/L), and the spin stiffness rho_s, are extrapolated to the thermodynamic limit using fits to polynomials in 1/L, constrained by scaling forms previously obtained from renormalization group calculations for the nonlinear sigma model and chiral perturbation theory. The results are fully consistent with the predicted leading finite-size corrections and are of sufficient accuracy for extracting also subleading terms. The subleading energy correction (proportional to 1/L^4) agrees with chiral perturbation theory to within a statistical error of a few percent, thus providing the first numerical confirmation of the finite-size scaling forms to this order. The extrapolated ground state energy per spin, E=-0.669437(5), is the most accurate estimate reported to date. The most accurate Green's function Monte Carlo (GFMC) result is slightly higher than this value, most likely due to a small systematic error originating from ``population control'' bias in GFMC. The other extrapolated parameters are M=0.3070(3), rho_s = 0.175(2), chi_perp = 0.0625(9), and the spinwave velocity c=1.673(7). The statistical errors are comparable with those of the best previous estimates, obtained by fitting loop algorithm quantum Monte Carlo data to finite-temperature scaling forms. Both M and rho_s obtained from the finite-T data are, however, a few error bars higher than the present estimates. It is argued that the T=0 extrapolations performed here are less sensitive to effects of neglectedComment: 16 pages, RevTex, 9 PostScript figure

COVID-19 Demand Shocks Revisited: Did Advertising Technology Help Mitigate Adverse Consequences for Small and Midsize Businesses?

Research has investigated the impact of the COVID-19 pandemic on business performance and survival, indicating particularly adverse effects for small and midsize businesses (SMBs). Yet only limited work has examined whether and how online advertising technology may have helped shape these outcomes, particularly for SMBs. The aim of this study is to address this gap. By constructing and analyzing a novel data set of more than 60,000 businesses in 49 countries, we examine the impact of government lockdowns on business survival. Using discrete-time survival models with instrumental variables and staggered difference-in-differences estimators, we find that government lockdowns increased the likelihood of SMB closure around the world but that use of online advertising technology attenuates this adverse effect. The findings show heterogeneity in country, industry, and business size, consistent with theoretical expectations

The Debye-Waller Factor in solid 3He and 4He

The Debye-Waller factor and the mean-squared displacement from lattice sites for solid 3He and 4He were calculated with Path Integral Monte Carlo at temperatures between 5 K and 35 K, and densities between 38 nm^(-3) and 67 nm^(-3). It was found that the mean-squared displacement exhibits finite-size scaling consistent with a crossover between the quantum and classical limits of N^(-2/3) and N^(-1/3), respectively. The temperature dependence appears to be T^3, different than expected from harmonic theory. An anisotropic k^4 term was also observed in the Debye-Waller factor, indicating the presence of non-Gaussian corrections to the density distribution around lattice sites. Our results, extrapolated to the thermodynamic limit, agree well with recent values from scattering experiments.Comment: 5 figure