Related papers: An extrapolation method for shell model calculatio…
A reaction-diffusion problem with a Caputo time derivative is considered. An integral discretization scheme on a graded mesh along with a decomposition of the exact solution is proposed. The truncation error estimate of the discretization…
The energy variance extrapolation method consists in relating the approximate energies in many-body calculations to the corresponding energy variances and inferring eigenvalues by extrapolating to zero variance. The method needs a fast…
Shell-model calculations of the electric dipole (E1) polarizability have been performed for the ground state of selected p- and sd-shell nuclei, substantially advancing previous knowledge. Our results are slightly larger compared with the…
A new procedure for the calculation of shell model coefficients of fractional parentage has been developed. This procedure is free of numerical diagonalization, orthogonalization, and even of grop theoretical classification of antisymmetric…
Large-scale shell-model calculations are carried out in the model space including neutron-hole orbitals $2p_{1/2}$, $1f_{5/2}$, $2p_{3/2}$, $0i_{13/2}$, $1f_{7/2}$ and $0h_{9/2}$ to study the structure and electromagnetic properties of…
We present a comparison of model-space extrapolation methods for No-Core Shell Model calculations of ground-state energies and root-mean-square radii in Li isotopes. In particular, we benchmark the latest machine learning tools against…
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, an alternative method to range-separated linear-response time-dependent density-functional theory and perturbation theory is proposed to improve the estimation of the energies of a physical system from the energies of a…
A new method is presented for calculation of the shell correction with the inclusion of the continuum part of the spectrum. The smoothing function used has a finite energy range in contrast to the Gaussian shape of the Strutinski method.…
We propose an importance-truncation scheme for the large-scale nuclear shell model that extends its range of applicability to larger valence spaces and mid-shell nuclei. It is based on a perturbative measure for the importance of individual…
The shell model Monte Carlo (SMMC) method is a powerful technique for calculating the statistical and collective properties of nuclei in the presence of correlations in model spaces that are many orders of magnitude larger than those that…
Performing a shell model calculation for heavy nuclei has been a long-standing problem in nuclear physics. Here we propose one possible solution. The central idea of this proposal is to take the advantages of two existing models, the…
Gaussian process regression has recently emerged as a powerful, system-agnostic tool for building global potential energy surfaces (PES) of polyatomic molecules. While the accuracy of GP models of PES increases with the number of potential…
The last decade has witnessed both quantitative and qualitative progresses in Shell Model studies, which have resulted in remarkable gains in our understanding of the structure of the nucleus. Indeed, it is now possible to diagonalize…
Calculations of nuclei are often carried out in finite model spaces. Thus, finite-size corrections enter, and it is necessary to extrapolate the computed observables to infinite model spaces. In this work, we employ extrapolation methods…
In this paper, we present some results of shell-model calculations employing effective interactions derived from the CD-Bonn free nucleon-nucleon potential. These concern 18O, 134Te, and 210Po, and are part of a comprehensive study of…
The shell-model Monte Carlo (SMMC) technique transforms the traditional nuclear shell-model problem into a path-integral over auxiliary fields. We describe below the method and its applications to four physics issues: calculations of sdpf-…
In this paper, a core-shell enhanced single particle model for iron-phosphate battery cells is formulated, implemented, and verified. Starting from the description of the positive and negative electrodes charge and mass transport dynamics,…
We report on the development of a new shell-model Monte Carlo algorithm which uses the proton-neutron formalism. Shell model Monte Carlo methods, within the isospin formulation, have been successfully used in large-scale shell-model…
The shell correction method is revisited. Contrary to the traditional Strutinsky method, the shell energy is evaluated by an averaging over the number of particles and not over the single-particle energies, which is more consistent with the…