Related papers: Finite-size correction in many-body electronic str…
Using the bond-propagation algorithm, we study the Ising model on a rectangle of size $M \times N$ with free boundaries. For five aspect ratios $\rho=M/N=1,2,4,8,16$, the critical free energy, internal energy and specific heat are…
The calculation of self-energy corrections to the electron bands of a metal requires the evaluation of the intraband contribution to the polarizability in the small-q limit. When neglected, as in standard GW codes for semiconductors and…
Accurate charge densities are essential for reliable electronic structure calculations because they significantly impact predictions of various chemical properties and in particular, according to the Hellmann-Feynman theorem, atomic forces.…
Finite size effects in Euclidean ${\rm CP}^{N-1}$ models with periodic boundary conditions are investigated by means of the $1/N$ expansion and by Monte Carlo simulations. Analytic and numerical results for magnetic susceptibility and…
A new perturbation theory is proposed for studying finite-size effects near critical point of the $\phi^4$ model with a one-component order parameter. The new approach is based on the techniques of generating functional and functional…
We study the influence of the scheme for the correction for spurious center-of-mass motion on the fit of effective interactions for self-consistent nuclear mean-field calculations. We find that interactions with very simple center-of-mass…
The Kohn-Sham equation is a powerful, widely used approach for computation of ground state electronic energies and densities in chemistry, materials science, biology, and nanosciences. In this paper, we study the adaptive finite element…
Field-theoretical calculations predict that, at the upper critical dimension $d_c=4$, the finite-size scaling (FSS) behaviors of the Ising model would be modified by multiplicative logarithmic corrections with thermal and magnetic…
Nowadays, strict finite size effects must be taken into account in condensed matter problems when treated through models based on lattices or graphs. On the other hand, the cases of directed bonds or links are known as highly relevant, in…
We present the first step towards the estimation of finite volume effects in heavy-light meson systems using heavy meson chiral perturbation theory. We demonstrate that these effects can be amplified in both light-quark and heavy-quark mass…
In ab initio calculations of electronic structures, total energies, and forces, it is convenient and often even necessary to employ a broadening of the occupation numbers. If done carefully, this improves the accuracy of the calculated…
We analyze the finite-size corrections to the energy and specific heat of the critical two-dimensional spin-1/2 Ising model on a torus. We extend the analysis of Ferdinand and Fisher to compute the correction of order L^{-3} to the energy…
In this work I present a numerical study of the Finite Size Scaling (FSS) of a correlation length in the framework of the $CP ^{N-1}$ model by means of the 1/N expansion. This study has been thought as propedeutical to the application of…
We demonstrate in this work the transferability of self-energy(SE) correction(SEC) of Kohn-Sham(KS) single particle states from smaller to larger systems, when mapped through localized orbitals constructed from the KS states. The approach…
We introduce and validate a finite-size two-body excess entropy integral equation. By using analytical arguments and computer simulations of prototypical simple liquids, we show that the excess entropy $s_2$ exhibits a finite-size scaling…
We show various aspects of finite size effects on Bose-Einstein condensation(BEC). In the first section we introduce very briefly the BEC of harmonically trapped ideal Bose gas. In the second section we theoretically argued that…
The spontaneous formation of micelles in aqueous solutions is governed by the amphipathic nature of surfactants and is practically interesting due to the regular use of micelles as membrane mimics, for the characterization of protein…
The finite-size effects in critical phenomena of a thin film system are studied from a mean field (MF) approach with $\phi^4$ model for second-order phase transition. The influence of boundary condition on the critical properties are…
The Effective Field Theory of Large-Scale Structure (EFTofLSS) attempts to amend some of the shortcomings of the traditional perturbative methods used in cosmology. It models the evolution of long-wavelength perturbations above a cutoff…
The standard definition of particle number fluctuations based on point-like particles neglects the excluded volume effect. This leads to a large and systematic finite-size scaling and an unphysical surface term in the isothermal…