Related papers: MFGSB (ver. 1.0): Computer code for self-consisten…
We extensively develop a method of implementing mean-field calculations for deformed nuclei, using the Gaussian expansion method (GEM). This GEM algorithm has the following advantages: (i) it can efficiently describe the energy-dependent…
The DIRHB package consists of three Fortran computer codes for the calculation of the ground-state properties of even-even atomic nuclei using the framework of relativistic self-consistent mean-field models. Each code corresponds to a…
Self-consistent mean field (MF) and beyond-mean-field (BMF) calculations of masses, separation energies and $2^{+}_{1}$ excitation energies of even-even nuclei where experimental data is available are presented. The functionals used are…
The multiscale model combining the multiconfigurational self-consistent field (MCSCF) method with the fully atomistic polarizable Fluctuating Charges (FQ) force field (J. Chem. Theory Comput. 2024, 20, 9954-9967) is here extended to the…
A Gaussian boson sampler (GBS) is a special-purpose quantum computer that can be practically realized at large scale in optics. Here we report on experiments in which we used a frequency-multiplexed GBS with $>400$ modes as the reservoir in…
A computer code is presented for solving the equations of Hartree-Fock-Bogoliubov (HFB) theory by the gradient method, motivated by the need for efficient and robust codes to calculate the configurations required by extensions of HFB such…
We show that the Hartree-Fock-Bogoliubov (HFB) method is able to describe experimental values of alpha decay widths by including a residual nucleon-nucleon Surface Gaussian Interaction (SGI) within the standard procedure used to calculate…
A Fortran program for the calculation of the ground state properties of axially deformed even-even nuclei in the relativistic framework is presented. In this relativistic mean field (RMF) approach a set of coupled differential equations…
In order to identify the Higgs sector realized in nature, the predictions for Higgs boson masses, production cross sections and decay widths have to be compared with experimental results. We give a brief overview about computer codes for…
The convergence of self-consistent field equations in mean-field nuclear-electronic orbital methods strongly depends on the choice of initial guesses for quantum nuclei. Although several such guesses have been proposed in the literature, a…
We present an overview of beyond mean field theories (BMFT) based on the generator coordinate method (GCM) and the recovery of symmetries used in nuclear physics with effective forces. After a reminder of the Hartree-Fock-Bogoliubov (HFB)…
The dependence of the nuclear level density on intrinsic deformation is an important input to dynamical nuclear processes such as fission. Auxiliary-field Monte Carlo (AFMC) method is a powerful method for computing nuclear level densities.…
In this article, we present a method for computing accurate and scalable nuclear forces within the phaseless auxiliary-field quantum Monte Carlo (AFQMC) framework. Our approach leverages automatic differentiation of the energy functional to…
Beyond mean-field methods are very successful tools for the description of large-amplitude collective motion for even-even atomic nuclei. The state-of-the-art framework of these methods consists in a Generator Coordinate Method based on…
This paper describes some applications of GPU acceleration in ab initio nuclear structure calculations. Specifically, we discuss GPU acceleration of the software package MFDn, a parallel nuclear structure eigensolver. We modify the matrix…
One of the main modeling in many data science applications is the Gaussian Mixture Model (GMM), and Mean Field Variational Bayesian Inference (MFVBI) is classically used for approximate fast computation. In this paper, we provide a…
Background: Mean-field methods based on an energy density functional (EDF) are powerful tools used to describe many properties of nuclei in the entirety of the nuclear chart. The accuracy required on energies for nuclear physics and…
A local optimization method based on Bayesian Gaussian Processes is developed and applied to atomic structures. The method is applied to a variety of systems including molecules, clusters, bulk materials, and molecules at surfaces. The…
The augmented Lagrangiam method (ALM), widely used in quantum chemistry constrained optimization problems, is applied in the context of the nuclear Density Functional Theory (DFT) in the self-consistent constrained Skyrme…
The Barnes-Hut and Fast Multipole Methods are widely utilised methods applied in order to reduce the computational cost of evaluating long range forces in $N$-body simulations. Despite this, applying existing libraries to simple problems…