相关论文: Finite-size correction in many-body electronic str…

The numerical precision of density-functional-theory (DFT) calculations depends on a variety of computational parameters, one of the most critical being the basis-set size. The ultimate precision is reached with an infinitely large basis…

We develop a method for calculating the fundamental electronic gap of semiconductors and insulators using grand canonical Quantum Monte Carlo simulations. We discuss the origin of the bias introduced by supercell calculations of finite size…

We investigate the effects of finite size corrections on the overlap probabilities in the Generalized Random Energy Model (GREM) in two situations where replica symmetry is broken in the thermodynamic limit. Our calculations do not use…

Micro-Electro-Mechanical Systems (MEMS) normally have fixed or moving structures (plates or array of thin beams) with cross-sections of the order of microns and lengths of the order of tens or hundreds of microns. Electrostatic forces play…

In this thesis we investigate finite size effects in 1+1 dimensional integrable QFT. In particular we consider matrix elements of local operators (finite volume form factors) and vacuum expectation values and correlation functions at finite…

Large-scale density functional theory (DFT) calculations provide a powerful tool to investigate the atomic and electronic structure of materials with complex structures. This article reviews a large-scale DFT calculation method, the…

To understand the finite-size-scaling properties of phases transitions in classical and quantum models in the presence of quenched disorder, it has proven to be fruitful to introduce the notion of a finite-size-pseudo-critical point in each…

We investigate the convergence of quasi-particle energies for periodic systems to the thermodynamic limit using increasingly large simulation cells corresponding to increasingly dense integration meshes in reciprocal space. The…

One-dimensional multi-component Fermi or Bose systems with strong zero-range interactions can be described in terms of local exchange coefficients and mapping the problem into a spin model is thus possible. For arbitrary external confining…

We consider interacting Fermi systems close to the unitary regime and compute the corrections to the energy density that are due to a large scattering length and a small effective range. Our approach exploits the universality of the density…

We systematically investigate the finite-size effects in non-Hermitian one-dimensional (1D) Su-Schrieffer-Heeger (SSH) and two-dimensional (2D) Chern insulator models. Using a combination of analytical and numerical calculations, we show…

The Ewald3D sum with the tinfoil boundary condition (e3dtf) evaluates the electrostatic energy of a finite unit cell inside an infinitely periodic supercell. Although it has been used as a {\it de facto} standard treatment of electrostatics…

Using Finite-Size Scaling techniques we obtain accurate results for critical quantities of the Ising model and the site percolation, in three dimensions. We pay special attention in parameterizing the corrections-to-scaling, what is…

The interface between domains of opposite magnetization in the 3D Ising model near the critical temperature displays universal finite-size effects which can be described in terms of a gaussian model of capillary waves. It turns out that…

In Carrasco et al. we have recently proposed a method to calculate $O(e^2)$ electromagnetic corrections to leptonic decay widths of pseudoscalar mesons. The method is based on the observation that the infrared divergent contributions (that…

We study the convergence and shape correction to the limit distributions of extreme values due to the finite size (FS) of data sets. A renormalization method is introduced for the case of independent, identically distributed (iid)…

We derive a finite set of nonlinear integral equations for describing the finite size dependence of the ground state energy of the O(4) nonlinear sigma model. By modifying the kernel functions of these equations we propose nonlinear…

The recent many-body expanded full configuration interaction (MBE-FCI) method is reviewed by critically assessing its advantages and drawbacks in the context of contemporary near-exact electronic structure theory. Besides providing a…

Finite-size scaling, finite-size corrections, and boundary effects for critical systems have attracted much attention in recent years. Here we derive exact finite-size corrections for the free energy F and the specific heat C of the…

It is customary to apply the so-called narrow width approximation $\Gamma(B\to RP_3\to P_1P_2P_3)=\Gamma(B\to RP_3)Br(R\to P_1P_2)$ to extract the branching fraction of the quasi-two-body decay $B\to RP_3$, with $R$ and $P_3$ being an…