相关论文: An extrapolation method for shell model calculatio…

In finite element methods (FEMs), the accuracy of the solution cannot increase indefinitely because the round-off error increases when the number of degrees of freedom (DoFs) is large enough. This means that the accuracy that can be reached…

A shell model study of the low energy region of the spectra in Ge isotopes for $38\leq N\leq 50$ is presented, analyzing the excitation energies, quadrupole moments, $B(E2)$ values and occupation numbers. The theoretical results have been…

We present a new approach to study the properties of the sun. We consider small variations of the physical and chemical properties of the sun with respect to Standard Solar Model predictions and we linearize the structure equations to…

A novel algorithm was recently presented to utilize emerging time dependent probability density data to extract molecular potential energy surfaces. This paper builds on the previous work and seeks to enhance the capabilities of the…

Chiral effective field theory can provide valuable insight into the chiral physics of hadrons when used in conjunction with non-perturbative schemes such as lattice QCD. In this discourse, the attention is focused on extrapolating the mass…

We study the gross properties of even-even and $N=Z$ nuclei with $A=48-64$ using shell-model Monte Carlo methods. Our calculations account for all $0 \hbar \omega$ configurations in the $fp$-shell and employ the modified Kuo-Brown…

The quest for an approximate yet accurate kinetic energy density functional is central to the development of orbital-free density functional theory. While a recipe for closed-shell systems has been proposed earlier, we have shown that it…

We have studied p-shell nuclei using a two-frequency shell-model approach with an effective interaction derived from the Bonn-A nucleon-nucleon potential by means of a G-matrix folded-diagram method. First, we briefly describe our…

Monte-Carlo simulations are routinely used for estimating the scaling exponents of complex systems. However, due to finite-size effects, determining the exponent values is often difficult and not reliable. Here we present a novel technique…

We propose new linear combinations of compositions of a basic second-order scheme with appropriately chosen coefficients to construct higher order numerical integrators for differential equations. They can be considered as a generalization…

The present paper is comprised of two parts. First, we give a brief survey of the theoretical framework for microscopic nuclear structure calculations starting from a free nucleon-nucleon potential. Then, we present some selected results of…

We introduce a new implementation of time-dependent density-functional theory which allows the \emph{entire} spectrum of a molecule or extended system to be computed with a numerical effort comparable to that of a \emph{single} standard…

We deduce a procedure to apply balanced truncation to parameter-dependent differential-algebraic systems. For that we solve multiple projected Lyapunov equations for different parameter values to compute the Gramians that are required for…

We report on a study of neutron-rich even-mass Te isotopes in terms of the shell model employing a realistic effective interaction derived from the CD-Bonn nucleon-nucleon potential. The strong short-range repulsion of the latter is…

Computation of heats of reaction of large molecules is now feasible using domain-based PNO-CCSD(T) theory. However, to obtain agreement within 1~kcal/mol of experiment, it is necessary to eliminate basis set incompleteness error, which…

In this paper the modification of the method conventionally used for the modeling of the massive fermions production and decays is proposed. The step by step algorithm is presented. Under the strict conditions the proposed method of…

The design of numerical boundary conditions is a challenging problem that has been tackled in different ways depending on the nature of the problem and the numerical scheme used to solve it. In this paper we present a new weighted…

To facilitate the numerical analysis of particle methods, we derive truncation error estimates for the approximate operators in a generalized particle method. Here, a generalized particle method is defined as a meshfree numerical method…

We develop a shell-model Monte Carlo (SMMC) method to calculate densities of states with varying exciton (particle-hole) number. We then apply this method to the doubly closed-shell nucleus 40Ca in a full 0s-1d-0f-1p shell-model space and…

We propose a new optimized phonon approach for the numerical diagonalization of interacting electron-phonon systems combining density-matrix and Lanczos algorithms. We demonstrate the reliablity of this approach by calculating the phase…