相关论文: Precise estimation of shell model energy by second…
This report details an approach to improve the accuracy and precision of free energy difference estimates using thermodynamic integration data (slope of the free energy with respect to the switching variable lambda) and its application to…
In this paper, we consider the initial value problem for some nonlinear second-order ODEs of Duffing type. We study the large time behavior of the solutions to this problem, from both the perspectives of mathematical and numerical analysis.…
We introduce an energy-based model, which seems especially suited for constrained systems. The proposed model provides an alternative to the popular port-Hamiltonian framework and exhibits similar properties such as energy dissipation as…
In this paper, we present an approach to enhance interpolation and approximation error estimates. Based on a previously derived first-order Taylor-like formula, we demonstrate its applicability in improving the $P_1$-interpolation error…
For two different scenarios regarding thin elastic structures, described by 2d-F\"oppl-von K\'arm\'an plate models, we obtain energy scaling laws. Firstly, assuming the reference geometry being that of a singular excess-cone, we obtain…
How much energy does it take to stamp a thin elastic shell flat? Motivated by recent experiments on the wrinkling patterns of floating shells, we develop a rigorous method via $\Gamma$-convergence for answering this question to leading…
In this present paper, I propose a derivation of unified interpolation and extrapolation function that predicts new values inside and outside the given range by expanding direct Taylor series on the middle point of given data set.…
A simple, physically motivated, scaling hypothesis, which becomes exact in important limits, yields estimates for the ground-state energy of large, composed, systems in terms of the ground-state energy of its building blocks. The concept is…
We consider the linear Schr\"odinger equation and its discretization by split-step methods where the part corresponding to the Laplace operator is approximated by the midpoint rule. We show that the numerical solution coincides with the…
We propose an algorithm for molecular dynamics or Monte Carlo simulations that uses an interpolation procedure to estimate potential energy values from energies and gradients evaluated previously at points of a simplicial mesh. We chose an…
The aim of this paper is to derive a refined first-order expansion formula in Rn, the goal being to get an optimal reduced remainder, compared to the one obtained by usual Taylor's formula. For a given function, the formula we derived is…
In this work, an off-shell extrapolation is proposed for the Regge-model $NN$ amplitudes of \cite{FVO_Reggemodel}. A prescription for extrapolating these amplitudes for one nucleon off-shell in the initial state are given. Application of…
A method for calculating the short-range order part of the free energy of order-disorder systems is proposed. The method is based on the apllication of the cumulant expansion to the exact configurational entropy. Second-order correlation…
In this paper, we propose an efficient quadratic interpolation formula utilizing solution gradients computed and stored at nodes and demonstrate its application to a third-order cell-centered finite-volume discretization on tetrahedral…
Methods for estimating the correlation energy of molecules and other electronic systems are discussed based on the assumption that the correlation energy can be partitioned between atomic regions. In one method, the electron density is…
We develop a principled approach to obtain exact computer-aided worst-case guarantees on the performance of second-order optimization methods on classes of univariate functions. We first present a generic technique to derive interpolation…
In this paper we propose and analyze an energy stable numerical scheme for the Cahn-Hilliard equation, with second order accuracy in time and the fourth order finite difference approximation in space. In particular, the truncation error for…
In the present work, we consider multi-scale computation and convergence for nonlinear time-dependent thermo-mechanical equations of inhomogeneous shells possessing temperature-dependent material properties and orthogonal periodic…
We propose here a new model termed as the Differential Equation Model for the ground to first 2+ state excitation energy E2 of a given even-even nucleus, according to which the energy E2 is expressed in terms of its derivatives with respect…
Statistical fluctuations of the nuclear ground state energies are estimated using shell model calculations in which particles in the valence shells interact through well defined forces, and are coupled to an upper shell governed by random…