相关论文: Empirical physical formula for potential energy cu…

A potential energy curve (PEC) accurate to a fraction of 1 ppm ($1:10^6$) is computed for the $^3\Sigma_\mathrm{u}^+$ state of He$_2$ endowed with relativistic and QED corrections. The nuclear Schr\"odinger equation is solved on this PEC…

We adopt the Hartree-Fock (HF) method in the proton-neutron-$\Lambda$ (p-n-$\Lambda$) formalism and the nucleon-$\Lambda$ Tamm-Dancoff Approximation (N$\Lambda$ TDA) to study the energy spectra of medium-mass hypernuclei. The formalism is…

The ab initio quasirelativistic Hartree-Fock method developed specifically for the calculation of spectral parameters of heavy atoms and highly charged ions is used to derive transition data for multicharged tungsten ion. The configuration…

One of the fundamental ground-state properties of nuclei is binding energy. In this study, we have employed artificial neural networks (ANNs) to obtain binding energies based on the data calculated from Hartree-Fock-Bogolibov (HFB) method…

The rise of machine learning has greatly influenced the field of computational chemistry, and that of atomistic molecular dynamics simulations in particular. One of its most exciting prospects is the development of accurate,…

Nuclei far from stability are studied by solving the Hartree-Fock-Bogoliubov (HFB) equations, which describe the self-consistent mean field theory with pairing interaction. Calculations for even-even nuclei are carried out on…

The shape transitions and shape coexistence in the Ge and Se isotopes are studied within the interacting boson model (IBM) with the microscopic input from the self-consistent mean-field calculation based on the Gogny-D1M energy density…

Physics-informed machine learning frameworks such as Physics-Informed Neural Networks (PINNs) and Physics-Informed Extreme Learning Machines (PI-ELMs) have shown great promise for solving partial differential equations (PDEs) but struggle…

We have performed deformed Hartree-Fock+BCS calculations with the Skyrme SIII force for the ground states of even-even nuclei with 2 <= Z <= 114 and N ranging from outside the proton drip line to beyond the experimental frontier in the…

We present the first set of results of solving the Hartree-Fock-Bogoliubov equations, which describe the self-consistent mean field theory with pairing interaction. Calculations for even-even nuclei are carried out on a two-dimensional…

A microscopic framework that combines the Hartree-Fock-Bogoliubov (HFB) approach with the fusion by diffusion (FBD) model is proposed to investigate the synthesis mechanism of superheavy nuclei (SHN). For the reaction…

Using the Hartree-Fock-Bogoliubov (HFB) self-consistent mean-field theory with the SkM* Skyrme energy-density functional, we study nuclear structure properties of even-even superheavy nuclei (SHN) of $Z=120$ isotopes and $N=184$ isotones.…

The cranked relativistic Hartree+Bogoliubov theory has been applied for a systematic study of the nuclei around 254No, the heaviest nuclei for which detailed spectroscopic data are available. The deformation, rotational response, pairing…

Hydrogen atom transfer (HAT) reactions are essential in many biological processes, such as radical migration in damaged proteins, but their mechanistic pathways remain incompletely understood. Simulating HAT is challenging due to the need…

We propose a neural-network-based variational framework for nuclear Density Functional Theory based on the extended Thomas--Fermi (ETF) model, in which proton and neutron number densities are represented by multilayer perceptrons and…

In this work, we propose a multi-scale protocol for routine theoretical studies of chemical reaction mechanisms. The initial reaction paths of our investigated systems are sampled using the Nudged-Elastic Band (NEB) method driven by a cheap…

First calculations for deformed nuclei with the Fayans functional are carried out for the uranium and lead isotopic chains. The ground state deformations and deformation energies are compared to Skyrme-Hartree-Fock-Bogolyubov results of…

We introduce an approach for solving PDEs over manifolds using physics informed neural networks whose architecture aligns with spectral methods. The networks are trained to take in as input samples of an initial condition, a time stamp and…

A microscopic description of nuclear fission represents one of the most challenging problems in nuclear theory. While phenomenological coordinates, such as multipole moments, have often been employed to describe fission, it is not obvious…

The Relativistic Hartree-Fock-Bogoliubov model for axially deformed nuclei (RHFBz) is introduced. The model is based on an effective Lagrangian with density-dependent meson-nucleon couplings in the particle-hole channel, and the pairing…