Related papers: Precise estimation of shell model energy by second…
We perform an extrapolative analysis of "fast-growth" free-energy-difference (DF) estimates of a computer-modeled, fully-solvated ethane<->methanol transformation. The results suggest that extrapolation can greatly reduce the systematic…
An infinite projected entangled-pair state (iPEPS) is a variational tensor network ansatz for 2D wave functions in the thermodynamic limit where the accuracy can be systematically controlled by the bond dimension $D$. We show that for the…
An effective two-body interaction is constructed from a new Reid-like $NN$ potential for a large no-core space consisting of six major shells and is used to generate the shell-model properties for light nuclei from $A$=2 to 6. (For…
Second-order structured deformations of continua provide an extension of the multiscale geometry of first-order structured deformations by taking into account the effects of submacroscopic bending and curving. We derive here an integral…
Using a new analytic quantum mechanical method based on Slater's Xalpha method, we show that a fairly accurate estimate of the total energy of a molecule can be obtained from the exact energies of its constituent atoms. The mean absolute…
Controllability and observability energy functions play a fundamental role in model order reduction and are inherently connected to optimal control problems. For linear dynamical systems the energy functions are known to be quadratic…
The power flow equations are fundamental to power system planning, analysis, and control. However, the inherent non-linearity and non-convexity of these equations present formidable obstacles in problem-solving processes. To mitigate these…
Nonlinear response theory, in contrast to linear cases, involves (dynamical) details, and this makes application to many body systems challenging. From the microscopic starting point we obtain an exact response theory for a small number of…
We revisit an algorithm by Skeel et al. for computing the modified, or shadow, energy associated with the symplectic discretization of Hamiltonian systems. By rephrasing the algorithm as a Richardson extrapolation scheme arbitrary high…
The porous medium equation (PME) is a typical nonlinear degenerate parabolic equation. An energetic variational approach has been studied in a recent work [6], in which the trajectory equation is obtained, and a few first order accurate…
Simple methods in the frame work of the broken pair model have been worked out for odd-odd nuclei. The reliability of the model has been tested by reproducing the shell model results of limiting cases in which the broken pair model exactly…
In this work we make further studies of the quadrupole quadrupole interaction used in shell model calculations.Whereas in a previous work we adjusted the single particle energies so as to obtain the rotatonal spectrum of the Elliott model,…
This paper introduces an efficient second-order method for solving the elastic net problem. Its key innovation is a computationally efficient technique for injecting curvature information in the optimization process which admits a strong…
We develop a second order correction to commonly used density functional approximations (DFA) to eliminate the systematic delocalization error. The method, based on the previously developed global scaling correction (GSC), is an exact…
In this work, we mainly present the optimal convergence rates of the temporally second-order finite element scheme for solving the electrohydrodynamic equation. Suffering from the highly coupled nonlinearity, the convergence analysis of the…
In ab initio nuclear structure theory, accurately predicting electromagnetic observables, such as moments and transition rates, is essential for a comprehensive understanding of nuclear properties. However, computational limitations and…
An implementation of the shell-model to the complex energy plane is presented. The representation used in the method consists of bound single-particle states, Gamow resonances and scattering waves on the complex energy plane. Two-particle…
We note that in large space shell model calculaiotns and experiment one sometimes get results, the form of which also appear in smaller space calculations. On the other hand there are some results which demand the large space approach.
The binding energies and proton separation energies of nuclides with $Z, N = 30-50$ are investigated, based on the shell model with an uncertainty analysis through statistical methods. Several formulas are used to obtain the binding…
We study the stability of a two-dimensional Lax-Wendroff scheme in a quarter-plane. Following our previous work, we aim here at adapting the energy method in order to study second order extrapolation boundary conditions. We first show on…