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Evaluation of global thermodynamic properties, such as the entropy or the free energy, of complex systems featuring a high degree of frustration or disorder is often desirable. Nevertheless, they cannot be measured directly in standard…
In thermodynamics, entropy production and work quantify irreversibility and the consumption of useful energy, respectively, when a system is driven out of equilibrium. For quantum systems, these quantities can be identified at the…
We analyze the problem of eliminating finite-size errors from quantum Monte Carlo (QMC) energy data. We demonstrate that both (i) adding a recently proposed [S. Chiesa et al., Phys. Rev. Lett. 97, 076404 (2006)] finite-size correction to…
Ensemble Density Functional Theory (EDFT) is a promising extension to Density Functional Theory (DFT) for calculating excited states. While Kohn-Sham eigenvalue differences underestimate gaps, EDFT has been shown to provide more accurate…
When calculating properties of periodic systems at the thermodynamic limit (TDL), the dominant source of finite size error (FSE) arises from the long-range Coulomb interaction, and can manifest as a slowly converging quadrature error when…
We study different aspects of quantum field theory at finite density using methods from quantum information theory. For simplicity we focus on massive Dirac fermions with nonzero chemical potential, and work in $1+1$ space-time dimensions.…
We have considered the divergence structure in the brick-wall model for the statistical mechanical entropy of a quantum field in thermal equilibrium with a black hole which {\it rotates}. Especially, the contribution to entropy from…
The relative entropy for two different degenerate diffusion processes is estimated by using the Wasserstein distance of initial distributions and the difference between coefficients. As applications, the entropy cost inequality and…
We study the finite-size effects for the thermal QCD Deconfinement Phase Transition (DPT), and use a numerical finite size scaling analysis to extract the scaling exponents characterizing its scaling behavior when approaching the…
An ideal Maxwell-Boltzmann gas confined in various rectangular nano domains is considered under quantum size effects. Thermodynamic quantities are calculated from their relations with partition function which consists of triple infinite…
The isothermal compressibility of an interacting or non interacting system may be extracted from the fluctuations of the number of particles in a well chosen control volume. Finite size effects are prevalent and should then be accounted for…
We study the scaling behavior of the entanglement entropy of two dimensional conformal quantum critical systems, i.e. systems with scale invariant wave functions. They include two-dimensional generalized quantum dimer models on bipartite…
Further developments are introduced in the theory of finite size errors in quantum many-body simulations of extended systems using periodic boundary conditions. We show that our recently introduced Model Periodic Coulomb interaction [A. J.…
We propose a method to evaluate the entropy density and entropy flux in a vacuum gap between two half-spaces that takes into account influence of near-field effects, i.e., interference, diffraction, and tunneling of waves. The method…
The thermodynamic definition of entropy can be extended to nonequilibrium systems based on its relation to information. To apply this definition in practice requires access to the physical system's microstates, which may be prohibitively…
We implement a Wang-Landau sampling technique in quantum Monte Carlo (QMC) for the purpose of calculating the Renyi entanglement entropies and associated mutual information. The algorithm converges an estimate for an analogue to the density…
We consider the entanglement entropy in critical one-dimensional quantum systems with open boundary conditions. We show that the second R\'enyi entropy of an interval away from the boundary can be computed exactly, provided the same…
We establish a quantitative bound on the entropy jump associated to the sum of independent, identically distributed (IID) radially symmetric random vectors having dimension greater than one. Following the usual approach, we first consider…
Entropy estimation is of practical importance in information theory and statistical science. Many existing entropy estimators suffer from fast growing estimation bias with respect to dimensionality, rendering them unsuitable for…
We calculate the entanglement entropy of blocks of size x embedded in a larger system of size L, by means of a combination of analytical and numerical techniques. The complete entanglement entropy in this case is a sum of three terms. One…